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Alpha-1,4 glucan phosphorylase

Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.

AlphaFold DB , UniProt , Accession A0A5K4ECX3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 829 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
1M37.8Very low76.7Confident155 Ų15570.9 Ų70.976%0.76435%0.349SS*.  0160.40-68.8163.6-170.800110.4I3 N8 K815M1-I3 PolarHBondContact O-N 3.41Å; M1-N8 VanDerWaalsContact CB-ND2 3.3Å; M1-N8 WeakPolarHBondContact CB-ND2 3.35Å; M1-N8 PolarHBondContact SD-OD1 3.41Å; M1-K815 VanDerWaalsContact O-CD 3.32Å; M1-K815 WeakPolarHBondContact O-CD 3.48Å; M1-K815 WeakPolarHBondContact O-CE 3.3Å; M1-K815 PolarHBondContact O-NZ 3Å; M1-K815 VanDerWaalsContact O-NZ 3.15Å
2N49.6Very low78.2Confident95 Ų9565.6 Ų65.651%0.50832%0.324SS..  trans-64.8119.5169.2-169.2-0.6000107.1Q4 D5 N8N2-Q4 PolarHBondContact O-N 3.5Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; N2-Q4 PolarHBondContact OD1-N 2.95Å; N2-D5 HydrophobicContact CB-CB 4.45Å; N2-D5 WeakPolarHBondContact O-CB 3.4Å; N2-D5 PolarHBondContact O-N 3.11Å; N2-N8 PolarHBondContact O-ND2 3.06Å
3I55.9Low79.6Confident96 Ų9660.5 Ų60.549%0.49230%0.299SS..THydrogen-bonded Turntrans-64.3-23.1-173.9-55.1177.4000109.9M1M1-I3 PolarHBondContact O-N 3.41Å
4Q65.9Low80.8Confident51 Ų5160.1 Ų60.124%0.23830%0.299CS..THydrogen-bonded Turntrans-94.216.4177.2-65165.5-21.900113.7N2 V84 D85 A89N2-Q4 PolarHBondContact O-N 3.5Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; N2-Q4 PolarHBondContact OD1-N 2.95Å; Q4-V84 PolarHBondContact NE2-O 2.99Å; Q4-D85 VanDerWaalsContact CD-O 3.23Å; Q4-D85 PolarHBondContact NE2-O 3.28Å; Q4-A89 WeakPolarHBondContact O-CB 3.5Å
5D83.1Confident81.9Confident76 Ų7664.1 Ų64.141%0.40631%0.309SS..  trans-71.4129.9169.2-176.4-15.2000109.4N2 K7 N8 L9N2-D5 HydrophobicContact CB-CB 4.45Å; N2-D5 WeakPolarHBondContact O-CB 3.4Å; N2-D5 PolarHBondContact O-N 3.11Å; D5-K7 PolarHBondContact O-N 3.45Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 PolarHBondContact OD1-N 2.76Å; D5-K7 VanDerWaalsContact OD1-N 3.11Å; D5-N8 PolarHBondContact O-N 2.68Å; D5-L9 PolarHBondContact O-N 3.31Å; D5-L9 VanDerWaalsContact O-N 3.09Å
6A87.1Confident82.8Confident6 Ų661 Ų615%0.0530%0.295CS..Hα-helixtrans-50.9-35.3179.800000112.2L9 R10 E92 A93A6-L9 PolarHBondContact O-N 3.02Å; A6-R10 WeakPolarHBondContact O-CB 3.17Å; A6-R10 PolarHBondContact O-N 3.25Å; A6-E92 HydrophobicContact CB-CB 4.26Å; A6-E92 HydrophobicContact CB-CG 4.24Å; A6-A93 HydrophobicContact CB-CB 4.35Å
7K91.4Very high83.7Confident118 Ų11857.6 Ų57.651%0.51328%0.278SS..Hα-helixtrans-61.2-48.5175.2-178.2-178.7175.5-173.60112.2D5 L9 R10 D11D5-K7 PolarHBondContact O-N 3.45Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 PolarHBondContact OD1-N 2.76Å; D5-K7 VanDerWaalsContact OD1-N 3.11Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.2Å; K7-R10 WeakPolarHBondContact O-CB 3.35Å; K7-R10 PolarHBondContact O-N 3.28Å; K7-D11 PolarHBondContact O-N 2.66Å
8N90.9Very high84.4Confident36 Ų3660.5 Ų60.519%0.19329%0.291CS..Hα-helixtrans-67.4-37.2-178-65.9-32.6000111.4M1 N2 D5 R10 D11 S12M1-N8 VanDerWaalsContact CB-ND2 3.3Å; M1-N8 WeakPolarHBondContact CB-ND2 3.35Å; M1-N8 PolarHBondContact SD-OD1 3.41Å; N2-N8 PolarHBondContact O-ND2 3.06Å; D5-N8 PolarHBondContact O-N 2.68Å; N8-R10 VanDerWaalsContact C-N 3.35Å; N8-D11 PolarHBondContact O-N 3.22Å; N8-S12 WeakPolarHBondContact O-CB 3.37Å; N8-S12 PolarHBondContact O-N 3.08Å
9L92.4Very high85.1Confident1 Ų165.3 Ų65.31%0.00531%0.311CS..Hα-helixtrans-66.2-38.6176.5-66.7170.3000111.5D5 A6 K7 S12 F13 T40 A89 L90 A93D5-L9 PolarHBondContact O-N 3.31Å; D5-L9 VanDerWaalsContact O-N 3.09Å; A6-L9 PolarHBondContact O-N 3.02Å; K7-L9 VanDerWaalsContact C-N 3.32Å; K7-L9 PolarHBondContact O-N 3.2Å; L9-S12 PolarHBondContact O-N 3.15Å; L9-F13 WeakPolarHBondContact O-CB 2.98Å; L9-F13 PolarHBondContact O-N 3.03Å; L9-T40 HydrophobicContact CD2-CG2 4.18Å; L9-A89 HydrophobicContact CD1-CB 3.56Å; L9-L90 HydrophobicContact CB-CD2 4.04Å; L9-L90 HydrophobicContact CD1-CD2 3.97Å; L9-L90 HydrophobicContact CD1-CG 3.96Å; L9-L90 HydrophobicContact CD2-CD2 4.07Å; L9-L90 HydrophobicContact CG-CD2 4.25Å; L9-A93 HydrophobicContact CB-CB 4.29Å
10R94.7Very high85.6Confident68 Ų6867.9 Ų67.926%0.25732%0.318SS..Hα-helixtrans-63-43.4173.2-172.7179.464.5-145.1-0.5112.3A6 K7 N8 F13 N14 A93 L97A6-R10 WeakPolarHBondContact O-CB 3.17Å; A6-R10 PolarHBondContact O-N 3.25Å; K7-R10 WeakPolarHBondContact O-CB 3.35Å; K7-R10 PolarHBondContact O-N 3.28Å; N8-R10 VanDerWaalsContact C-N 3.35Å; R10-F13 WeakPolarHBondContact O-CB 3.37Å; R10-F13 PolarHBondContact O-N 3.43Å; R10-N14 PolarHBondContact O-N 3.3Å; R10-N14 PolarHBondContact O-ND2 2.91Å; R10-A93 HydrophobicContact CB-CB 4.38Å; R10-L97 HydrophobicContact CG-CD1 3.88Å; R10-L97 HydrophobicContact CG-CD2 3.72Å; R10-L97 HydrophobicContact CG-CG 3.76Å
11D94.7Very high86.1Confident78 Ų7865.9 Ų65.942%0.41731%0.31SS..Hα-helixtrans-66.4-40.5178.1-66.7-15000111K7 N8 N14 R15K7-D11 PolarHBondContact O-N 2.66Å; N8-D11 PolarHBondContact O-N 3.22Å; D11-N14 PolarHBondContact O-N 2.87Å; D11-R15 WeakPolarHBondContact O-CB 3.31Å; D11-R15 PolarHBondContact O-N 3.17Å
12S94.7Very high88.9Confident7 Ų763.9 Ų63.95%0.04931%0.307CS..Hα-helixtrans-62.4-43.9171.7171.10000112.1N8 L9 R15 N16 T40 E43N8-S12 WeakPolarHBondContact O-CB 3.37Å; N8-S12 PolarHBondContact O-N 3.08Å; L9-S12 PolarHBondContact O-N 3.15Å; S12-R15 WeakPolarHBondContact O-CB 3.32Å; S12-R15 PolarHBondContact O-N 3.17Å; S12-N16 PolarHBondContact O-N 3.09Å; S12-N16 PolarHBondContact O-ND2 3.26Å; S12-N16 VanDerWaalsContact O-ND2 3.16Å; S12-N16 PolarHBondContact OG-ND2 2.88Å; S12-T40 PolarHBondContact OG-OG1 3.27Å; S12-E43 VanDerWaalsContact OG-CD 3.25Å; S12-E43 PolarHBondContact OG-OE1 3.13Å; S12-E43 PolarHBondContact OG-OE2 3.02Å
13F96.6Very high91.1Very high0 Ų062.2 Ų62.20%030%0.295CS..Hα-helixtrans-57.7-50.8175.2178.2-86.8000112.2L9 R10 R15 N16 L17 F33 A36 L37 T40 M94 L97 L99L9-F13 WeakPolarHBondContact O-CB 2.98Å; L9-F13 PolarHBondContact O-N 3.03Å; R10-F13 WeakPolarHBondContact O-CB 3.37Å; R10-F13 PolarHBondContact O-N 3.43Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 3.38Å; F13-N16 PolarHBondContact O-N 2.82Å; F13-L17 HydrophobicContact CE1-CD2 4.4Å; F13-L17 WeakPolarHBondContact O-CB 3.37Å; F13-L17 PolarHBondContact O-N 3.01Å; F13-F33 HydrophobicContact CE1-CD1 4.18Å; F13-F33 WeakPolarHBondContact CE2-O 3.3Å; F13-F33 HydrophobicContact CZ-CB 4.12Å; F13-F33 AromaticContact CZ-CD1 3.79Å; F13-F33 HydrophobicContact CZ-CD1 3.79Å; F13-F33 HydrophobicContact CZ-CG 4.36Å; F13-A36 HydrophobicContact CD2-CB 4.05Å; F13-A36 HydrophobicContact CE2-CB 3.76Å; F13-A36 HydrophobicContact CZ-CB 4.07Å; F13-L37 HydrophobicContact CD2-CB 4.19Å; F13-L37 HydrophobicContact CE2-CB 3.96Å; F13-T40 WeakPolarHBondContact CA-OG1 3.5Å; F13-T40 PolarHBondContact N-OG1 3.46Å; F13-M94 HydrophobicContact CB-CE 4.1Å; F13-M94 HydrophobicContact CD1-CE 4.43Å; F13-M94 HydrophobicContact CD2-CE 3.58Å; F13-M94 HydrophobicContact CD2-SD 3.82Å; F13-M94 HydrophobicContact CE2-CE 4.05Å; F13-M94 HydrophobicContact CE2-SD 3.65Å; F13-M94 HydrophobicContact CG-CE 3.78Å; F13-M94 HydrophobicContact CG-SD 4.45Å; F13-M94 HydrophobicContact CZ-SD 4.17Å; F13-L97 HydrophobicContact CB-CD1 4.46Å; F13-L97 HydrophobicContact CD1-CD1 3.39Å; F13-L97 HydrophobicContact CE1-CD1 3.74Å; F13-L97 HydrophobicContact CG-CD1 4Å; F13-L99 HydrophobicContact CE1-CD1 3.99Å; F13-L99 HydrophobicContact CE2-CD1 4.43Å; F13-L99 HydrophobicContact CZ-CD1 3.57Å
14N96.7Very high92.9Very high55 Ų5560.9 Ų60.929%0.29429%0.289SS..Hα-helixtrans-63.5-37178.2-74.5-38.3000111.8R10 D11 L17 H18R10-N14 PolarHBondContact O-N 3.3Å; R10-N14 PolarHBondContact O-ND2 2.91Å; D11-N14 PolarHBondContact O-N 2.87Å; N14-L17 PolarHBondContact O-N 2.99Å; N14-H18 WeakPolarHBondContact O-CB 3.37Å; N14-H18 PolarHBondContact O-N 3.17Å
15R96.8Very high94.1Very high120 Ų12063.7 Ų63.745%0.45330%0.297SS..Hα-helixtrans-62.2-45.7174-172.2-178.263.5-138.4-1.2111.3D11 S12 F13 H18 F19 E43D11-R15 WeakPolarHBondContact O-CB 3.31Å; D11-R15 PolarHBondContact O-N 3.17Å; S12-R15 WeakPolarHBondContact O-CB 3.32Å; S12-R15 PolarHBondContact O-N 3.17Å; F13-R15 VanDerWaalsContact C-N 3.29Å; F13-R15 PolarHBondContact O-N 3.38Å; R15-H18 PolarHBondContact O-N 3.35Å; R15-F19 HydrophobicContact CB-CD2 4.49Å; R15-F19 HydrophobicContact CG-CD2 3.58Å; R15-F19 HydrophobicContact CG-CE2 4.06Å; R15-F19 WeakPolarHBondContact O-CB 3.47Å; R15-F19 WeakPolarHBondContact O-CD2 3.25Å; R15-F19 PolarHBondContact O-N 3.28Å; R15-E43 IonicContact CZ-OE1 3.9Å; R15-E43 IonicContact CZ-OE2 3.7Å; R15-E43 IonicContact NE-OE1 2.78Å; R15-E43 IonicContact NH2-OE1 3.7Å; R15-E43 PolarHBondContact NH2-OE1 3.43Å; R15-E43 IonicContact NH2-OE2 3.66Å; R15-E43 PolarHBondContact NH2-OE2 3.26Å
16N97Very high94.5Very high14 Ų1467.2 Ų67.28%0.07532%0.316CS..Iπ-helixtrans-66.6-40.5177.7-77.1-48.3000111.7S12 F13 H18 Y20 V21 A36 R39 T40 E43S12-N16 PolarHBondContact O-N 3.09Å; S12-N16 PolarHBondContact O-ND2 3.26Å; S12-N16 VanDerWaalsContact O-ND2 3.16Å; S12-N16 PolarHBondContact OG-ND2 2.88Å; F13-N16 PolarHBondContact O-N 2.82Å; N16-H18 VanDerWaalsContact C-N 3.33Å; N16-H18 PolarHBondContact O-N 2.95Å; N16-Y20 WeakPolarHBondContact O-CA 3.19Å; N16-Y20 VanDerWaalsContact O-CB 3.26Å; N16-Y20 WeakPolarHBondContact O-CB 3.37Å; N16-Y20 PolarHBondContact O-N 2.88Å; N16-V21 PolarHBondContact O-N 3.46Å; N16-A36 HydrophobicContact CB-CB 4.4Å; N16-R39 HydrophobicContact CB-CB 4.1Å; N16-T40 PolarHBondContact ND2-N 3.23Å; N16-T40 PolarHBondContact ND2-OG1 3.22Å; N16-E43 PolarHBondContact ND2-OE1 3.48Å; N16-E43 PolarHBondContact OD1-OE1 2.95Å
17L97.6Very high94.9Very high4 Ų471.6 Ų71.62%0.02134%0.338CS..Iπ-helixtrans-59.9-44.4174-174.765.1000111.7F13 N14 V21 V22 K23 R25 A28 D32 F33 A36F13-L17 HydrophobicContact CE1-CD2 4.4Å; F13-L17 WeakPolarHBondContact O-CB 3.37Å; F13-L17 PolarHBondContact O-N 3.01Å; N14-L17 PolarHBondContact O-N 2.99Å; L17-V21 HydrophobicContact CD1-CB 4.45Å; L17-V21 WeakPolarHBondContact O-CB 3.24Å; L17-V22 PolarHBondContact O-N 3.16Å; L17-K23 HydrophobicContact CD1-CB 4.06Å; L17-K23 HydrophobicContact CG-CB 4.45Å; L17-K23 PolarHBondContact O-N 2.89Å; L17-K23 VanDerWaalsContact O-N 3.08Å; L17-R25 HydrophobicContact CD2-CG 4.24Å; L17-A28 HydrophobicContact CD1-CB 4.05Å; L17-D32 HydrophobicContact CD1-CB 4.27Å; L17-F33 HydrophobicContact CD1-CD1 4.12Å; L17-F33 HydrophobicContact CD1-CE1 4.34Å; L17-F33 HydrophobicContact CD2-CD1 4.12Å; L17-F33 HydrophobicContact CD2-CE1 3.78Å; L17-A36 HydrophobicContact CB-CB 4Å; L17-A36 HydrophobicContact CD1-CB 4.26Å
18H97.3Very high95.2Very high109 Ų10966.8 Ų66.851%0.50532%0.32SS..Iπ-helixtrans-76.2-49.8-176.7-17171.9000113.5N14 R15 N16 V22N14-H18 WeakPolarHBondContact O-CB 3.37Å; N14-H18 PolarHBondContact O-N 3.17Å; R15-H18 PolarHBondContact O-N 3.35Å; N16-H18 VanDerWaalsContact C-N 3.33Å; N16-H18 PolarHBondContact O-N 2.95Å; H18-V22 VanDerWaalsContact O-CA 3.27Å; H18-V22 WeakPolarHBondContact O-CA 3.47Å; H18-V22 PolarHBondContact O-N 2.97Å
19F96.9Very high95.4Very high152 Ų15268.6 Ų68.667%0.66733%0.332SS*.Iπ-helixtrans-95.6-33.2-170.6-66.6-73.2000114R15R15-F19 HydrophobicContact CB-CD2 4.49Å; R15-F19 HydrophobicContact CG-CD2 3.58Å; R15-F19 HydrophobicContact CG-CE2 4.06Å; R15-F19 WeakPolarHBondContact O-CB 3.47Å; R15-F19 WeakPolarHBondContact O-CD2 3.25Å; R15-F19 PolarHBondContact O-N 3.28Å
20Y94.4Very high95.6Very high116 Ų11671.4 Ų71.446%0.45535%0.346SS..Iπ-helixtrans-89.6-48.1-179.8-178.2-90.2000111.2N16 V35 R39N16-Y20 WeakPolarHBondContact O-CA 3.19Å; N16-Y20 VanDerWaalsContact O-CB 3.26Å; N16-Y20 WeakPolarHBondContact O-CB 3.37Å; N16-Y20 PolarHBondContact O-N 2.88Å; Y20-V35 HydrophobicContact CD1-CG1 4.13Å; Y20-V35 HydrophobicContact CE1-CG1 3.75Å; Y20-R39 HydrophobicContact CD1-CG 3.7Å; Y20-R39 HydrophobicContact CE1-CG 3.65Å; Y20-R39 HydrophobicContact CG-CG 4.18Å
21V95.9Very high95.6Very high26 Ų2670.8 Ų70.816%0.15834%0.344CS..SBendtrans-83.5-21.9-179.3-173.60000111.9N16 L17 K23 D32 V35 A36N16-V21 PolarHBondContact O-N 3.46Å; L17-V21 HydrophobicContact CD1-CB 4.45Å; L17-V21 WeakPolarHBondContact O-CB 3.24Å; V21-K23 HydrophobicContact CG1-CB 4.29Å; V21-K23 HydrophobicContact CG1-CG 3.79Å; V21-D32 HydrophobicContact CG1-CB 3.76Å; V21-D32 WeakPolarHBondContact CG1-OD1 3.45Å; V21-V35 HydrophobicContact CG2-CB 4.22Å; V21-V35 HydrophobicContact CG2-CG1 3.9Å; V21-A36 HydrophobicContact CG2-CB 4.28Å
22V97.2Very high95.7Very high114 Ų11468.3 Ų68.369%0.69133%0.331SS*.  trans62.847.8179.6-161.50000111.5L17 H18L17-V22 PolarHBondContact O-N 3.16Å; H18-V22 VanDerWaalsContact O-CA 3.27Å; H18-V22 WeakPolarHBondContact O-CA 3.47Å; H18-V22 PolarHBondContact O-N 2.97Å
23K96.3Very high95.9Very high60 Ų6068.9 Ų68.926%0.26133%0.332SS..  trans-133.3149.4-179.7-71.1-73.8-168.1157.40111.4L17 V21 I27 A28 D32L17-K23 HydrophobicContact CD1-CB 4.06Å; L17-K23 HydrophobicContact CG-CB 4.45Å; L17-K23 PolarHBondContact O-N 2.89Å; L17-K23 VanDerWaalsContact O-N 3.08Å; V21-K23 HydrophobicContact CG1-CB 4.29Å; V21-K23 HydrophobicContact CG1-CG 3.79Å; K23-I27 HydrophobicContact CD-CD1 3.8Å; K23-I27 HydrophobicContact CD-CG1 3.88Å; K23-I27 PolarHBondContact NZ-O 3.4Å; K23-A28 HydrophobicContact CB-CB 4.28Å; K23-D32 HydrophobicContact CG-CB 4.38Å; K23-D32 IonicContact NZ-OD2 3.88Å
24D92.9Very high95.9Very high67 Ų6769.2 Ų69.236%0.35833%0.334SS..  trans-101.2166.4160.874.990.6000110.7N26 I27 A28D24-N26 PolarHBondContact O-N 3Å; D24-N26 VanDerWaalsContact O-N 3.14Å; D24-N26 WeakPolarHBondContact OD1-CB 3.48Å; D24-N26 PolarHBondContact OD1-N 3.15Å; D24-N26 PolarHBondContact OD1-ND2 3.44Å; D24-I27 PolarHBondContact O-N 3.3Å; D24-I27 WeakPolarHBondContact OD2-CG1 3.44Å; D24-A28 WeakPolarHBondContact O-CB 3.18Å; D24-A28 PolarHBondContact O-N 2.71Å; D24-A28 VanDerWaalsContact O-N 3.17Å
25R90.7Very high95.9Very high110 Ų11067.9 Ų67.942%0.41533%0.327SS..THydrogen-bonded Turntrans-63.9-20.9-173.5-55.2-161.487.8-155.9-2.5113.7L17 L97L17-R25 HydrophobicContact CD2-CG 4.24Å; R25-L97 PolarHBondContact NH1-O 2.85Å; R25-L97 VanDerWaalsContact NH1-O 3.09Å; R25-L97 PolarHBondContact NH2-O 2.94Å
26N92.2Very high96Very high151 Ų15162.2 Ų62.281%0.80731%0.306SS*.THydrogen-bonded Turntrans-78.7-22.3-176.4-54.1-63.1000113.2D24D24-N26 PolarHBondContact O-N 3Å; D24-N26 VanDerWaalsContact O-N 3.14Å; D24-N26 WeakPolarHBondContact OD1-CB 3.48Å; D24-N26 PolarHBondContact OD1-N 3.15Å; D24-N26 PolarHBondContact OD1-ND2 3.44Å
27I95.8Very high96Very high97 Ų9761.5 Ų61.550%0.49730%0.302SS..THydrogen-bonded Turntrans-123.33.3-17764164000113.4K23 D24K23-I27 HydrophobicContact CD-CD1 3.8Å; K23-I27 HydrophobicContact CD-CG1 3.88Å; K23-I27 PolarHBondContact NZ-O 3.4Å; D24-I27 PolarHBondContact O-N 3.3Å; D24-I27 WeakPolarHBondContact OD2-CG1 3.44Å
28A96.8Very high96Very high17 Ų1761.3 Ų61.314%0.1430%0.301CS..  trans-72.7130.5176.800000110.2L17 K23 D24 D32 F33L17-A28 HydrophobicContact CD1-CB 4.05Å; K23-A28 HydrophobicContact CB-CB 4.28Å; D24-A28 WeakPolarHBondContact O-CB 3.18Å; D24-A28 PolarHBondContact O-N 2.71Å; D24-A28 VanDerWaalsContact O-N 3.17Å; A28-D32 HydrophobicContact CB-CB 4.16Å; A28-F33 HydrophobicContact CB-CD1 4.16Å; A28-F33 HydrophobicContact CB-CE1 3.5Å; A28-F33 HydrophobicContact CB-CE2 4.15Å; A28-F33 HydrophobicContact CB-CZ 3.5Å
29T96.4Very high95.9Very high74 Ų7458.6 Ų58.645%0.45429%0.287SS..  trans-88168.3173.565.90000110.9R31 D32 F33T29-R31 PolarHBondContact O-N 3.16Å; T29-R31 PolarHBondContact OG1-N 3.48Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.33Å; T29-D32 WeakPolarHBondContact O-CB 3.31Å; T29-D32 PolarHBondContact O-N 3.44Å; T29-D32 VanDerWaalsContact OG1-CG 3.26Å; T29-D32 PolarHBondContact OG1-N 3.43Å; T29-D32 PolarHBondContact OG1-OD2 3.49Å; T29-F33 WeakPolarHBondContact O-CD2 3Å; T29-F33 PolarHBondContact O-N 3.3Å
30M95.5Very high95.9Very high60 Ų6051.4 Ų51.430%0.29626%0.255SS..Hα-helixtrans-56.8-32172.6-72-57.4-76.300113F33 Y34 E103 L104 M107M30-F33 HydrophobicContact SD-CD2 4.12Å; M30-Y34 PolarHBondContact O-N 2.67Å; M30-E103 HydrophobicContact CE-CB 3.57Å; M30-E103 WeakPolarHBondContact CE-OE2 3.43Å; M30-L104 HydrophobicContact CE-CD2 3.63Å; M30-L104 HydrophobicContact CE-CG 4.34Å; M30-L104 HydrophobicContact SD-CD2 4.3Å; M30-M107 HydrophobicContact CB-CE 4.48Å; M30-M107 HydrophobicContact CB-CG 4.24Å; M30-M107 HydrophobicContact CB-SD 4.05Å
31R95.4Very high95.9Very high55 Ų5545.9 Ų45.921%0.20823%0.233CC..Hα-helixtrans-65.9-43.5173.9-169.6-177.6-165.686.528.5111.6T29 F33 Y34 V35 M107 Y167T29-R31 PolarHBondContact O-N 3.16Å; T29-R31 PolarHBondContact OG1-N 3.48Å; R31-F33 VanDerWaalsContact C-N 3.31Å; R31-F33 PolarHBondContact O-N 3.37Å; R31-Y34 WeakPolarHBondContact O-CB 3.49Å; R31-Y34 PolarHBondContact O-N 3.49Å; R31-V35 WeakPolarHBondContact O-CG2 3.49Å; R31-V35 PolarHBondContact O-N 3.18Å; R31-M107 HydrophobicContact CB-CE 4.04Å; R31-Y167 VanDerWaalsContact NE-CB 3.27Å; R31-Y167 VanDerWaalsContact NH1-CG 3.33Å
32D97.1Very high95.8Very high26 Ų2645.6 Ų45.614%0.13923%0.23CC..Hα-helixtrans-61.7-42.9179.3-62.6-47.5000110.5L17 V21 K23 A28 T29 V35 A36L17-D32 HydrophobicContact CD1-CB 4.27Å; V21-D32 HydrophobicContact CG1-CB 3.76Å; V21-D32 WeakPolarHBondContact CG1-OD1 3.45Å; K23-D32 HydrophobicContact CG-CB 4.38Å; K23-D32 IonicContact NZ-OD2 3.88Å; A28-D32 HydrophobicContact CB-CB 4.16Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.33Å; T29-D32 WeakPolarHBondContact O-CB 3.31Å; T29-D32 PolarHBondContact O-N 3.44Å; T29-D32 VanDerWaalsContact OG1-CG 3.26Å; T29-D32 PolarHBondContact OG1-N 3.43Å; T29-D32 PolarHBondContact OG1-OD2 3.49Å; D32-V35 PolarHBondContact O-N 3.06Å; D32-A36 WeakPolarHBondContact O-CB 3.5Å; D32-A36 PolarHBondContact O-N 2.91Å
33F97.9Very high95.5Very high19 Ų1943 Ų438%0.08321%0.21CC..Hα-helixtrans-63.6-41.9174-64-45.9000112.6F13 L17 A28 T29 M30 R31 A36 L37 L99 L104F13-F33 HydrophobicContact CE1-CD1 4.18Å; F13-F33 WeakPolarHBondContact CE2-O 3.3Å; F13-F33 HydrophobicContact CZ-CB 4.12Å; F13-F33 AromaticContact CZ-CD1 3.79Å; F13-F33 HydrophobicContact CZ-CD1 3.79Å; F13-F33 HydrophobicContact CZ-CG 4.36Å; L17-F33 HydrophobicContact CD1-CD1 4.12Å; L17-F33 HydrophobicContact CD1-CE1 4.34Å; L17-F33 HydrophobicContact CD2-CD1 4.12Å; L17-F33 HydrophobicContact CD2-CE1 3.78Å; A28-F33 HydrophobicContact CB-CD1 4.16Å; A28-F33 HydrophobicContact CB-CE1 3.5Å; A28-F33 HydrophobicContact CB-CE2 4.15Å; A28-F33 HydrophobicContact CB-CZ 3.5Å; T29-F33 WeakPolarHBondContact O-CD2 3Å; T29-F33 PolarHBondContact O-N 3.3Å; M30-F33 HydrophobicContact SD-CD2 4.12Å; R31-F33 VanDerWaalsContact C-N 3.31Å; R31-F33 PolarHBondContact O-N 3.37Å; F33-A36 PolarHBondContact O-N 3.49Å; F33-L37 WeakPolarHBondContact O-CB 3.42Å; F33-L37 PolarHBondContact O-N 3.04Å; F33-L99 HydrophobicContact CB-CD1 4.16Å; F33-L99 HydrophobicContact CD1-CD1 3.98Å; F33-L99 HydrophobicContact CD1-CD2 4.48Å; F33-L99 HydrophobicContact CD2-CD1 4.42Å; F33-L99 HydrophobicContact CD2-CD2 3.62Å; F33-L99 HydrophobicContact CE1-CD1 4.48Å; F33-L99 HydrophobicContact CE2-CD2 3.79Å; F33-L99 HydrophobicContact CG-CD1 3.94Å; F33-L99 HydrophobicContact CG-CD2 4.01Å; F33-L99 HydrophobicContact CZ-CD2 4.28Å; F33-L104 HydrophobicContact CB-CD1 4.49Å; F33-L104 HydrophobicContact CB-CD2 3.55Å
34Y97.6Very high95.1Very high8 Ų841.2 Ų41.23%0.03120%0.202CC..Hα-helixtrans-60.1-47.5174.4154.9-103.1000111.8M30 R31 A36 L37 A38 L77 L104 M107 E108 P170M30-Y34 PolarHBondContact O-N 2.67Å; R31-Y34 WeakPolarHBondContact O-CB 3.49Å; R31-Y34 PolarHBondContact O-N 3.49Å; Y34-A36 VanDerWaalsContact C-N 3.33Å; Y34-A36 PolarHBondContact O-N 2.84Å; Y34-L37 PolarHBondContact O-N 2.65Å; Y34-A38 HydrophobicContact CE2-CB 4.3Å; Y34-A38 WeakPolarHBondContact O-CB 3.47Å; Y34-A38 PolarHBondContact O-N 2.71Å; Y34-L77 HydrophobicContact CD2-CD2 4.1Å; Y34-L77 HydrophobicContact CE2-CD2 4.16Å; Y34-L104 WeakPolarHBondContact CD2-O 3.46Å; Y34-M107 HydrophobicContact CD1-CB 4.33Å; Y34-M107 HydrophobicContact CD2-CB 4.47Å; Y34-M107 HydrophobicContact CG-CB 3.93Å; Y34-E108 HydrophobicContact CD2-CB 4.43Å; Y34-E108 HydrophobicContact CE2-CB 3.65Å; Y34-E108 HydrophobicContact CE2-CG 4.07Å; Y34-E108 WeakPolarHBondContact OH-CG 3.48Å; Y34-P170 HydrophobicContact CE1-CG 4.29Å; Y34-P170 WeakPolarHBondContact OH-CG 3.38Å
35V97.2Very high95Very high27 Ų2738 Ų3816%0.16419%0.185CC..Hα-helixtrans-63.1-43.2179.8174.60000110.1Y20 V21 R31 D32 L37 A38 R39Y20-V35 HydrophobicContact CD1-CG1 4.13Å; Y20-V35 HydrophobicContact CE1-CG1 3.75Å; V21-V35 HydrophobicContact CG2-CB 4.22Å; V21-V35 HydrophobicContact CG2-CG1 3.9Å; R31-V35 WeakPolarHBondContact O-CG2 3.49Å; R31-V35 PolarHBondContact O-N 3.18Å; D32-V35 PolarHBondContact O-N 3.06Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 3.18Å; V35-A38 PolarHBondContact O-N 2.94Å; V35-R39 HydrophobicContact CG1-CG 4.46Å; V35-R39 VanDerWaalsContact O-CG 3.31Å; V35-R39 WeakPolarHBondContact O-CG 3.39Å; V35-R39 PolarHBondContact O-N 2.87Å
36A97.7Very high94.9Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-58.1-45.6174.900000111.7F13 N16 L17 V21 D32 F33 Y34 R39 T40F13-A36 HydrophobicContact CD2-CB 4.05Å; F13-A36 HydrophobicContact CE2-CB 3.76Å; F13-A36 HydrophobicContact CZ-CB 4.07Å; N16-A36 HydrophobicContact CB-CB 4.4Å; L17-A36 HydrophobicContact CB-CB 4Å; L17-A36 HydrophobicContact CD1-CB 4.26Å; V21-A36 HydrophobicContact CG2-CB 4.28Å; D32-A36 WeakPolarHBondContact O-CB 3.5Å; D32-A36 PolarHBondContact O-N 2.91Å; F33-A36 PolarHBondContact O-N 3.49Å; Y34-A36 VanDerWaalsContact C-N 3.33Å; Y34-A36 PolarHBondContact O-N 2.84Å; A36-R39 PolarHBondContact O-N 2.84Å; A36-T40 PolarHBondContact O-N 3.25Å; A36-T40 PolarHBondContact O-OG1 2.72Å; A36-T40 VanDerWaalsContact O-OG1 3.14Å
37L97.4Very high94.7Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-61.7-47.2176.1178.357.9000112.1F13 F33 Y34 V35 R39 T40 V41 L77 L90 M94 I101 L104F13-L37 HydrophobicContact CD2-CB 4.19Å; F13-L37 HydrophobicContact CE2-CB 3.96Å; F33-L37 WeakPolarHBondContact O-CB 3.42Å; F33-L37 PolarHBondContact O-N 3.04Å; Y34-L37 PolarHBondContact O-N 2.65Å; V35-L37 VanDerWaalsContact C-N 3.34Å; V35-L37 PolarHBondContact O-N 3.18Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 3.36Å; L37-T40 WeakPolarHBondContact O-CB 3.35Å; L37-T40 PolarHBondContact O-N 3.13Å; L37-T40 VanDerWaalsContact O-N 3.12Å; L37-V41 HydrophobicContact CD1-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.25Å; L37-L77 HydrophobicContact CD2-CD1 4.45Å; L37-L77 HydrophobicContact CD2-CD2 3.87Å; L37-L77 HydrophobicContact CG-CD1 4.14Å; L37-L77 HydrophobicContact CG-CD2 4.32Å; L37-L90 HydrophobicContact CD1-CD2 3.88Å; L37-M94 HydrophobicContact CD1-CE 4.31Å; L37-M94 HydrophobicContact CD1-CG 4.41Å; L37-M94 HydrophobicContact CD1-SD 4.13Å; L37-M94 HydrophobicContact CD2-CG 4.44Å; L37-M94 HydrophobicContact CD2-SD 4.47Å; L37-I101 HydrophobicContact CD2-CD1 4.37Å; L37-I101 HydrophobicContact CD2-CG1 4Å; L37-L104 HydrophobicContact CD2-CB 4.15Å; L37-L104 HydrophobicContact CD2-CD1 3.82Å
38A97.1Very high94.6Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-58.4-39.817800000111.7Y34 V35 V41 W42 P170 W171Y34-A38 HydrophobicContact CE2-CB 4.3Å; Y34-A38 WeakPolarHBondContact O-CB 3.47Å; Y34-A38 PolarHBondContact O-N 2.71Å; V35-A38 PolarHBondContact O-N 2.94Å; A38-V41 PolarHBondContact O-N 3.29Å; A38-W42 WeakPolarHBondContact O-CB 3.38Å; A38-W42 PolarHBondContact O-N 2.92Å; A38-P170 HydrophobicContact CB-CB 3.9Å; A38-P170 HydrophobicContact CB-CG 3.69Å; A38-W171 HydrophobicContact CB-CH2 4.14Å; A38-W171 HydrophobicContact CB-CZ2 3.7Å
39R96Very high94.5Very high52 Ų5227.9 Ų27.920%0.19614%0.144CC..Hα-helixtrans-70-36.9175.4-63.6-57.5-67168.1-1.5112.8N16 Y20 V35 A36 L37 V41 W42 E43 P170N16-R39 HydrophobicContact CB-CB 4.1Å; Y20-R39 HydrophobicContact CD1-CG 3.7Å; Y20-R39 HydrophobicContact CE1-CG 3.65Å; Y20-R39 HydrophobicContact CG-CG 4.18Å; V35-R39 HydrophobicContact CG1-CG 4.46Å; V35-R39 VanDerWaalsContact O-CG 3.31Å; V35-R39 WeakPolarHBondContact O-CG 3.39Å; V35-R39 PolarHBondContact O-N 2.87Å; A36-R39 PolarHBondContact O-N 2.84Å; L37-R39 VanDerWaalsContact C-N 3.27Å; L37-R39 PolarHBondContact O-N 3.36Å; R39-V41 VanDerWaalsContact C-N 3.31Å; R39-V41 PolarHBondContact O-N 3.49Å; R39-W42 WeakPolarHBondContact O-CB 3.48Å; R39-W42 PolarHBondContact O-N 3.23Å; R39-E43 WeakPolarHBondContact O-CG 3.34Å; R39-E43 PolarHBondContact O-N 3.44Å; R39-P170 PolarHBondContact NH1-O 2.7Å
40T95.9Very high94.4Very high0 Ų027.8 Ų27.80%014%0.143CC..Hα-helixtrans-61.3-40.8172.6-65.30000111.8L9 S12 F13 N16 A36 L37 E43 L90L9-T40 HydrophobicContact CD2-CG2 4.18Å; S12-T40 PolarHBondContact OG-OG1 3.27Å; F13-T40 WeakPolarHBondContact CA-OG1 3.5Å; F13-T40 PolarHBondContact N-OG1 3.46Å; N16-T40 PolarHBondContact ND2-N 3.23Å; N16-T40 PolarHBondContact ND2-OG1 3.22Å; A36-T40 PolarHBondContact O-N 3.25Å; A36-T40 PolarHBondContact O-OG1 2.72Å; A36-T40 VanDerWaalsContact O-OG1 3.14Å; L37-T40 WeakPolarHBondContact O-CB 3.35Å; L37-T40 PolarHBondContact O-N 3.13Å; L37-T40 VanDerWaalsContact O-N 3.12Å; T40-E43 PolarHBondContact O-N 2.97Å; T40-L90 HydrophobicContact CG2-CD2 4.09Å
41V95Very high94.3Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-69-39.7174.41780000111.3L37 A38 R39 E43 Q44 L45 L77 T80 M81 L90 W171L37-V41 HydrophobicContact CD1-CG2 4.34Å; L37-V41 WeakPolarHBondContact O-CG2 3.39Å; L37-V41 PolarHBondContact O-N 3.25Å; A38-V41 PolarHBondContact O-N 3.29Å; R39-V41 VanDerWaalsContact C-N 3.31Å; R39-V41 PolarHBondContact O-N 3.49Å; V41-E43 VanDerWaalsContact C-N 3.26Å; V41-E43 PolarHBondContact O-N 3.33Å; V41-Q44 VanDerWaalsContact O-CB 3.29Å; V41-Q44 WeakPolarHBondContact O-CB 3.31Å; V41-Q44 PolarHBondContact O-N 3.44Å; V41-L45 PolarHBondContact O-N 3.02Å; V41-L77 HydrophobicContact CB-CD1 4.4Å; V41-L77 HydrophobicContact CG2-CD1 3.84Å; V41-T80 HydrophobicContact CG1-CG2 3.31Å; V41-M81 HydrophobicContact CG1-CG 4.22Å; V41-M81 HydrophobicContact CG2-CG 3.7Å; V41-M81 HydrophobicContact CG2-SD 4.2Å; V41-L90 HydrophobicContact CG2-CD1 3.51Å; V41-W171 HydrophobicContact CB-CH2 3.92Å; V41-W171 HydrophobicContact CB-CZ3 4.32Å; V41-W171 HydrophobicContact CG1-CH2 3.83Å; V41-W171 HydrophobicContact CG1-CZ3 4.05Å
42W93.2Very high94.3Very high21 Ų2124.4 Ų24.48%0.0813%0.128CC..Hα-helixtrans-56.1-38.4175.3-178.8-84.3000112.9A38 R39 Q44 L45 C46 W49 W171 K173 P212A38-W42 WeakPolarHBondContact O-CB 3.38Å; A38-W42 PolarHBondContact O-N 2.92Å; R39-W42 WeakPolarHBondContact O-CB 3.48Å; R39-W42 PolarHBondContact O-N 3.23Å; W42-Q44 PolarHBondContact O-N 2.94Å; W42-L45 WeakPolarHBondContact O-CB 3.49Å; W42-L45 PolarHBondContact O-N 3.12Å; W42-C46 PolarHBondContact O-N 3.3Å; W42-W49 HydrophobicContact CH2-CZ3 4.28Å; W42-W49 HydrophobicContact CZ2-CZ3 4.11Å; W42-W171 HydrophobicContact CE3-CE3 4Å; W42-W171 HydrophobicContact CZ3-CB 4.43Å; W42-W171 WeakPolarHBondContact CZ3-O 3.35Å; W42-K173 HydrophobicContact CH2-CB 4.41Å; W42-K173 HydrophobicContact CZ2-CB 4.35Å; W42-P212 HydrophobicContact CE3-CG 4.07Å; W42-P212 VanDerWaalsContact CH2-CD 3.49Å; W42-P212 HydrophobicContact CH2-CG 3.71Å; W42-P212 HydrophobicContact CZ3-CG 3.36Å
43E91.9Very high94.2Very high58 Ų5825.5 Ų25.527%0.27113%0.133SC..Hα-helixtrans-59.4-32.8176-70.7176-173.700112.5S12 R15 N16 R39 T40 V41 L45S12-E43 VanDerWaalsContact OG-CD 3.25Å; S12-E43 PolarHBondContact OG-OE1 3.13Å; S12-E43 PolarHBondContact OG-OE2 3.02Å; R15-E43 IonicContact CZ-OE1 3.9Å; R15-E43 IonicContact CZ-OE2 3.7Å; R15-E43 IonicContact NE-OE1 2.78Å; R15-E43 IonicContact NH2-OE1 3.7Å; R15-E43 PolarHBondContact NH2-OE1 3.43Å; R15-E43 IonicContact NH2-OE2 3.66Å; R15-E43 PolarHBondContact NH2-OE2 3.26Å; N16-E43 PolarHBondContact ND2-OE1 3.48Å; N16-E43 PolarHBondContact OD1-OE1 2.95Å; R39-E43 WeakPolarHBondContact O-CG 3.34Å; R39-E43 PolarHBondContact O-N 3.44Å; T40-E43 PolarHBondContact O-N 2.97Å; V41-E43 VanDerWaalsContact C-N 3.26Å; V41-E43 PolarHBondContact O-N 3.33Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.19Å
44Q87.4Confident93.9Very high23 Ų2330 Ų3011%0.10715%0.154CC..Hα-helixtrans-70.5-27175.8-54.2-56.2-45.100112.7V41 W42 V84V41-Q44 VanDerWaalsContact O-CB 3.29Å; V41-Q44 WeakPolarHBondContact O-CB 3.31Å; V41-Q44 PolarHBondContact O-N 3.44Å; W42-Q44 PolarHBondContact O-N 2.94Å; Q44-V84 HydrophobicContact CB-CG2 4.23Å
45L89.9Confident93.7Very high1 Ų131.2 Ų31.21%0.00516%0.161CC..Hα-helixtrans-85-39.4179.7-69.2172.8000112.8V41 W42 E43 S47 R48 W49 T80 V84 W171 P212 P214V41-L45 PolarHBondContact O-N 3.02Å; W42-L45 WeakPolarHBondContact O-CB 3.49Å; W42-L45 PolarHBondContact O-N 3.12Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.19Å; L45-S47 VanDerWaalsContact C-N 3.3Å; L45-S47 PolarHBondContact O-N 2.71Å; L45-R48 WeakPolarHBondContact O-CA 3.34Å; L45-R48 WeakPolarHBondContact O-CB 3.4Å; L45-R48 PolarHBondContact O-N 2.85Å; L45-W49 WeakPolarHBondContact O-CB 3.26Å; L45-W49 PolarHBondContact O-N 3.28Å; L45-T80 HydrophobicContact CD1-CG2 3.38Å; L45-T80 HydrophobicContact CD2-CG2 3.91Å; L45-T80 HydrophobicContact CG-CG2 3.8Å; L45-V84 HydrophobicContact CD2-CG1 3.36Å; L45-V84 HydrophobicContact CG-CG1 4.12Å; L45-W171 HydrophobicContact CD1-CZ3 4.25Å; L45-P212 HydrophobicContact CD1-CB 4.5Å; L45-P212 HydrophobicContact CD1-CG 3.98Å; L45-P214 HydrophobicContact CD2-CB 3.51Å; L45-P214 HydrophobicContact CD2-CG 3.74Å
46C90Very high93.5Very high52 Ų5230.3 Ų30.335%0.35115%0.154SC..Hα-helixtrans-55.2-45.5-167.4-170.60000112.2W42 W49 V50W42-C46 PolarHBondContact O-N 3.3Å; C46-W49 PolarHBondContact O-N 3.37Å; C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 3.07Å
47S87.9Confident93.1Very high71 Ų7133.4 Ų33.450%0.49718%0.18SC..Hα-helixtrans-68.3-34.3178.4-57.50000113.2L45 W49 K51L45-S47 VanDerWaalsContact C-N 3.3Å; L45-S47 PolarHBondContact O-N 2.71Å; S47-W49 VanDerWaalsContact C-N 3.35Å; S47-K51 WeakPolarHBondContact O-CB 3.47Å; S47-K51 WeakPolarHBondContact O-CD 3.29Å; S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 2.91Å
48R92.6Very high92.7Very high26 Ų2638.3 Ų38.310%0.09821%0.21CC..Hα-helixtrans-68.2-40.1176-59.1-172.5-169.4-169.25.8110.7L45 T52 V84 N218 C221L45-R48 WeakPolarHBondContact O-CA 3.34Å; L45-R48 WeakPolarHBondContact O-CB 3.4Å; L45-R48 PolarHBondContact O-N 2.85Å; R48-T52 WeakPolarHBondContact O-CB 3.48Å; R48-T52 PolarHBondContact O-N 3.48Å; R48-T52 PolarHBondContact O-OG1 3.24Å; R48-V84 PolarHBondContact NH2-O 2.98Å; R48-N218 PolarHBondContact NH1-O 3.07Å; R48-N218 VanDerWaalsContact NH1-O 3.08Å; R48-C221 HydrophobicContact CB-CB 4.12Å
49W95.5Very high92.3Very high13 Ų1344.1 Ų44.15%0.04924%0.237CC..Hα-helixtrans-66-49.1-179.7-167.828.5000112W42 L45 C46 S47 K51 T52 Q53 K173 E210 P212 C221 T223W42-W49 HydrophobicContact CH2-CZ3 4.28Å; W42-W49 HydrophobicContact CZ2-CZ3 4.11Å; L45-W49 WeakPolarHBondContact O-CB 3.26Å; L45-W49 PolarHBondContact O-N 3.28Å; C46-W49 PolarHBondContact O-N 3.37Å; S47-W49 VanDerWaalsContact C-N 3.35Å; W49-K51 PolarHBondContact O-N 3.46Å; W49-T52 PolarHBondContact O-N 3.23Å; W49-Q53 WeakPolarHBondContact O-CG 3.26Å; W49-Q53 PolarHBondContact O-N 3.41Å; W49-Q53 VanDerWaalsContact O-N 3.09Å; W49-K173 HydrophobicContact CH2-CB 4.41Å; W49-K173 HydrophobicContact CZ3-CB 4.42Å; W49-E210 HydrophobicContact CH2-CB 3.54Å; W49-E210 HydrophobicContact CH2-CG 4.41Å; W49-E210 VanDerWaalsContact CH2-OE2 3.24Å; W49-E210 WeakPolarHBondContact CH2-OE2 3.03Å; W49-E210 HydrophobicContact CZ2-CB 3.7Å; W49-E210 HydrophobicContact CZ2-CG 4.36Å; W49-E210 WeakPolarHBondContact CZ2-OE2 3.1Å; W49-P212 HydrophobicContact CD2-CB 4.11Å; W49-P212 HydrophobicContact CE3-CB 4.31Å; W49-P212 HydrophobicContact CG-CB 4.31Å; W49-C221 HydrophobicContact CB-CB 4.14Å; W49-C221 VanDerWaalsContact CD1-O 3.3Å; W49-T223 HydrophobicContact CZ2-CG2 4.05Å; W49-T223 PolarHBondContact NE1-OG1 2.87Å
50V94.3Very high91.9Very high71 Ų7143.4 Ų43.443%0.4324%0.238SC..Hα-helixtrans-56.9-49.8175.3171.80000111C46 T52 Q53 E54C46-V50 WeakPolarHBondContact O-CG2 3.39Å; C46-V50 PolarHBondContact O-N 3.07Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 2.85Å; V50-Q53 PolarHBondContact O-N 3.23Å; V50-Q53 VanDerWaalsContact O-N 3.14Å; V50-E54 HydrophobicContact CG1-CG 4.3Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.26Å; V50-E54 WeakPolarHBondContact O-CG 3.23Å; V50-E54 PolarHBondContact O-N 3.01Å
51K93.7Very high91.8Very high45 Ų4544.1 Ų44.120%0.19624%0.242CC..Hα-helixtrans-62.7-35.3179.3-73172.2-176.3166.20113.9S47 W49 Q53 L55 V810 S813S47-K51 WeakPolarHBondContact O-CB 3.47Å; S47-K51 WeakPolarHBondContact O-CD 3.29Å; S47-K51 VanDerWaalsContact O-CG 3.24Å; S47-K51 WeakPolarHBondContact O-CG 3.47Å; S47-K51 PolarHBondContact O-N 2.91Å; W49-K51 PolarHBondContact O-N 3.46Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-L55 VanDerWaalsContact O-CB 3.3Å; K51-L55 WeakPolarHBondContact O-CB 3.33Å; K51-L55 PolarHBondContact O-N 3.49Å; K51-V810 HydrophobicContact CB-CG1 4.31Å; K51-S813 WeakPolarHBondContact CE-OG 3.16Å; K51-S813 VanDerWaalsContact NZ-CB 3.35Å; K51-S813 PolarHBondContact NZ-OG 2.9Å
52T95.6Very high91.8Very high0 Ų046 Ų460%025%0.25CS..Hα-helixtrans-64.1-44.1176.4-60.10000109.9R48 W49 V50 L55 Y56 Q219 T220 C221 V810R48-T52 WeakPolarHBondContact O-CB 3.48Å; R48-T52 PolarHBondContact O-N 3.48Å; R48-T52 PolarHBondContact O-OG1 3.24Å; W49-T52 PolarHBondContact O-N 3.23Å; V50-T52 VanDerWaalsContact C-N 3.3Å; V50-T52 PolarHBondContact O-N 2.85Å; T52-L55 PolarHBondContact O-N 2.7Å; T52-Y56 HydrophobicContact CG2-CD2 4.08Å; T52-Y56 HydrophobicContact CG2-CE1 4.02Å; T52-Y56 HydrophobicContact CG2-CE2 3.42Å; T52-Y56 VanDerWaalsContact CG2-CE2 3.42Å; T52-Y56 WeakPolarHBondContact CG2-OH 3.35Å; T52-Y56 VanDerWaalsContact O-CG 3.26Å; T52-Y56 PolarHBondContact O-N 2.89Å; T52-Q219 PolarHBondContact OG1-O 3.14Å; T52-T220 HydrophobicContact CG2-CG2 4.27Å; T52-C221 WeakPolarHBondContact CB-O 3.03Å; T52-C221 WeakPolarHBondContact CG2-O 3.28Å; T52-C221 PolarHBondContact OG1-N 3.38Å; T52-V810 HydrophobicContact CG2-CG2 4.4Å
53Q93.5Very high92Very high49 Ų4946.2 Ų46.223%0.22925%0.252CS..Hα-helixtrans-67.4-41177-61.8-50.5-38.300112.8W49 V50 K51 L55 Y56 A57 Y137 T223W49-Q53 WeakPolarHBondContact O-CG 3.26Å; W49-Q53 PolarHBondContact O-N 3.41Å; W49-Q53 VanDerWaalsContact O-N 3.09Å; V50-Q53 PolarHBondContact O-N 3.23Å; V50-Q53 VanDerWaalsContact O-N 3.14Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 3.26Å; Q53-Y56 PolarHBondContact O-N 2.98Å; Q53-A57 PolarHBondContact O-N 3.45Å; Q53-Y137 PolarHBondContact OE1-OH 3.22Å; Q53-T223 PolarHBondContact NE2-OG1 3.47Å
54E92.7Very high92.3Very high113 Ų11343.4 Ų43.453%0.52824%0.239SC..Hα-helixtrans-58.2-46.6173.1-72.6171.5173.400111V50 Y56 A57 T58V50-E54 HydrophobicContact CG1-CG 4.3Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.26Å; V50-E54 WeakPolarHBondContact O-CG 3.23Å; V50-E54 PolarHBondContact O-N 3.01Å; E54-Y56 PolarHBondContact O-N 2.87Å; E54-A57 WeakPolarHBondContact O-CB 3.35Å; E54-A57 PolarHBondContact O-N 3.02Å; E54-T58 WeakPolarHBondContact O-CG2 3.02Å; E54-T58 PolarHBondContact O-N 3.44Å; E54-T58 PolarHBondContact O-OG1 2.91Å
55L93Very high92.9Very high33 Ų3342.5 Ų42.517%0.17324%0.235CC..Hα-helixtrans-63.1-41.9179.4-17369.2000112.2K51 T52 Q53 A57 T58 E59 I808 V810K51-L55 VanDerWaalsContact O-CB 3.3Å; K51-L55 WeakPolarHBondContact O-CB 3.33Å; K51-L55 PolarHBondContact O-N 3.49Å; T52-L55 PolarHBondContact O-N 2.7Å; Q53-L55 VanDerWaalsContact C-N 3.33Å; Q53-L55 PolarHBondContact O-N 3.26Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.43Å; L55-T58 WeakPolarHBondContact CA-OG1 3.37Å; L55-T58 PolarHBondContact O-N 3.34Å; L55-T58 PolarHBondContact O-OG1 3.01Å; L55-T58 VanDerWaalsContact O-OG1 3.13Å; L55-E59 HydrophobicContact CD1-CG 3.52Å; L55-E59 HydrophobicContact CG-CG 3.98Å; L55-E59 WeakPolarHBondContact O-CB 3.24Å; L55-E59 PolarHBondContact O-N 3.15Å; L55-I808 HydrophobicContact CD2-CG2 3.5Å; L55-I808 VanDerWaalsContact CD2-CG2 3.5Å; L55-I808 HydrophobicContact CG-CG2 4.1Å; L55-V810 HydrophobicContact CD2-CB 4.1Å; L55-V810 HydrophobicContact CD2-CG2 3.57Å
56Y93Very high93.3Very high8 Ų842.5 Ų42.53%0.03124%0.235CC..Hα-helixtrans-65.2-34.6176.5-64.5-13.7000111.8T52 Q53 E54 D60 P61 M63 P135 N222T52-Y56 HydrophobicContact CG2-CD2 4.08Å; T52-Y56 HydrophobicContact CG2-CE1 4.02Å; T52-Y56 HydrophobicContact CG2-CE2 3.42Å; T52-Y56 VanDerWaalsContact CG2-CE2 3.42Å; T52-Y56 WeakPolarHBondContact CG2-OH 3.35Å; T52-Y56 VanDerWaalsContact O-CG 3.26Å; T52-Y56 PolarHBondContact O-N 2.89Å; Q53-Y56 PolarHBondContact O-N 2.98Å; E54-Y56 PolarHBondContact O-N 2.87Å; Y56-D60 PolarHBondContact O-N 3.31Å; Y56-P61 HydrophobicContact CD1-CG 4.18Å; Y56-P61 VanDerWaalsContact O-CD 3.3Å; Y56-P61 WeakPolarHBondContact O-CD 3.34Å; Y56-M63 HydrophobicContact CD2-CE 3.88Å; Y56-M63 HydrophobicContact CD2-SD 4.33Å; Y56-M63 HydrophobicContact CE2-CE 4.28Å; Y56-M63 HydrophobicContact CG-CE 4.5Å; Y56-M63 HydrophobicContact CG-SD 4.38Å; Y56-P135 HydrophobicContact CD1-CB 4.05Å; Y56-P135 HydrophobicContact CD2-CB 4.37Å; Y56-P135 HydrophobicContact CE1-CB 3.74Å; Y56-P135 HydrophobicContact CE2-CB 4.06Å; Y56-P135 HydrophobicContact CG-CB 4.37Å; Y56-P135 VanDerWaalsContact CZ-CA 3.47Å; Y56-P135 WeakPolarHBondContact OH-CA 3.36Å; Y56-N222 PolarHBondContact OH-OD1 3.18Å
57A88.5Confident93.7Very high65 Ų6540 Ų4054%0.53722%0.219SC..Hα-helixtrans-69.3-34.2173.600000112.8Q53 E54 L55Q53-A57 PolarHBondContact O-N 3.45Å; E54-A57 WeakPolarHBondContact O-CB 3.35Å; E54-A57 PolarHBondContact O-N 3.02Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.43Å
58T89.4Confident94.2Very high104 Ų10436.6 Ų36.664%0.63820%0.195SC*.Hα-helixtrans-86.2-40.5-177.356.80000114.4E54 L55E54-T58 WeakPolarHBondContact O-CG2 3.02Å; E54-T58 PolarHBondContact O-N 3.44Å; E54-T58 PolarHBondContact O-OG1 2.91Å; L55-T58 WeakPolarHBondContact CA-OG1 3.37Å; L55-T58 PolarHBondContact O-N 3.34Å; L55-T58 PolarHBondContact O-OG1 3.01Å; L55-T58 VanDerWaalsContact O-OG1 3.13Å
59E89.8Confident94.4Very high122 Ų12235.4 Ų35.457%0.5719%0.19SC*.Hα-helixtrans-85.6-13.5-177.1-65.4-68.2146.100112.8L55 I808L55-E59 HydrophobicContact CD1-CG 3.52Å; L55-E59 HydrophobicContact CG-CG 3.98Å; L55-E59 WeakPolarHBondContact O-CB 3.24Å; L55-E59 PolarHBondContact O-N 3.15Å; E59-I808 HydrophobicContact CB-CD1 4.18Å
60D87.6Confident94.4Very high37 Ų3734.9 Ų34.920%0.19819%0.189CC..  trans50.755.4175.4177.313.9000113.5Y56 Y298 Y301 K309Y56-D60 PolarHBondContact O-N 3.31Å; D60-Y298 HydrophobicContact CB-CE1 3.89Å; D60-Y298 WeakPolarHBondContact OD1-CE1 3.25Å; D60-Y298 PolarHBondContact OD1-OH 3.44Å; D60-Y301 PolarHBondContact OD2-OH 2.89Å; D60-K309 PolarHBondContact O-NZ 3.21Å; D60-K309 VanDerWaalsContact O-NZ 3.1Å; D60-K309 WeakPolarHBondContact OD1-CD 3.49Å; D60-K309 WeakPolarHBondContact OD1-CE 3.38Å; D60-K309 IonicContact OD1-NZ 3.69Å; D60-K309 PolarHBondContact OD1-NZ 3.41Å; D60-K309 WeakPolarHBondContact OD2-CE 3.33Å; D60-K309 IonicContact OD2-NZ 2.75Å; D60-K309 PolarHBondContact OD2-NZ 2.76Å
61P93.4Very high94.5Very high14 Ų1431.7 Ų31.79%0.09117%0.169CC..PPolyproline II helixtrans-73.8162.6174.629.4-32.1000112.9Y56 M63 P135 I808Y56-P61 HydrophobicContact CD1-CG 4.18Å; Y56-P61 VanDerWaalsContact O-CD 3.3Å; Y56-P61 WeakPolarHBondContact O-CD 3.34Å; P61-M63 HydrophobicContact CG-SD 3.94Å; P61-M63 PolarHBondContact O-N 3.42Å; P61-P135 HydrophobicContact CB-CB 4.15Å; P61-P135 HydrophobicContact CB-CG 3.71Å; P61-P135 HydrophobicContact CG-CB 3.79Å; P61-P135 HydrophobicContact CG-CG 3.93Å; P61-I808 HydrophobicContact CB-CD1 3.52Å; P61-I808 HydrophobicContact CG-CD1 3.76Å
62K96Very high94.7Very high41 Ų4130.6 Ų30.618%0.17816%0.164CC..PPolyproline II helixtrans-66.9122.9160.3-173.2176-174-177.80110.4P135 P307 N308 K309 W803 V805K62-P135 WeakPolarHBondContact O-CG 3.44Å; K62-P307 WeakPolarHBondContact CE-O 3.47Å; K62-P307 PolarHBondContact NZ-O 2.72Å; K62-N308 WeakPolarHBondContact CB-O 3.06Å; K62-N308 WeakPolarHBondContact CD-O 3.45Å; K62-N308 WeakPolarHBondContact CG-O 3.45Å; K62-K309 CarbonylContact C-O 3.57Å; K62-K309 VanDerWaalsContact CA-O 3.31Å; K62-K309 WeakPolarHBondContact CA-O 2.86Å; K62-W803 WeakPolarHBondContact CE-O 3.21Å; K62-W803 PolarHBondContact NZ-O 2.92Å; K62-V805 HydrophobicContact CB-CG2 4.06Å; K62-V805 HydrophobicContact CD-CG2 3.92Å; K62-V805 HydrophobicContact CG-CG2 3.85Å; K62-V805 VanDerWaalsContact O-CG1 3.3Å; K62-V805 WeakPolarHBondContact O-CG1 3.33Å
63M96.8Very high94.7Very high24 Ų2431.5 Ų31.512%0.11817%0.169CC..EExtended strand (participates in β ladder)trans-91.9137.9-177.2-60.6-61.5-55.600112.2Y56 P61 P135 Y137 K309 V310 V311Y56-M63 HydrophobicContact CD2-CE 3.88Å; Y56-M63 HydrophobicContact CD2-SD 4.33Å; Y56-M63 HydrophobicContact CE2-CE 4.28Å; Y56-M63 HydrophobicContact CG-CE 4.5Å; Y56-M63 HydrophobicContact CG-SD 4.38Å; P61-M63 HydrophobicContact CG-SD 3.94Å; P61-M63 PolarHBondContact O-N 3.42Å; M63-P135 HydrophobicContact CE-CB 3.94Å; M63-P135 HydrophobicContact SD-CB 3.62Å; M63-Y137 HydrophobicContact CE-CD2 3.61Å; M63-Y137 HydrophobicContact CE-CE2 3.59Å; M63-K309 PolarHBondContact N-O 2.84Å; M63-V310 WeakPolarHBondContact O-CA 3.42Å; M63-V311 PolarHBondContact O-N 2.99Å
64V98.5Very high94.9Very high0 Ų029.2 Ų29.20%016%0.158CC..EExtended strand (participates in β ladder)trans-91.8119.6168.4-177.10000110M129 P135 A136 Y137 V311 W803 V805V64-M129 HydrophobicContact CB-SD 4.49Å; V64-M129 HydrophobicContact CG1-SD 4.11Å; V64-P135 PolarHBondContact N-O 3.33Å; V64-A136 HydrophobicContact CB-CB 4.01Å; V64-A136 CarbonylContact O-C 3.59Å; V64-A136 VanDerWaalsContact O-CA 3.26Å; V64-A136 WeakPolarHBondContact O-CA 3.33Å; V64-Y137 PolarHBondContact O-N 3.42Å; V64-V311 HydrophobicContact CB-CG1 4.27Å; V64-V311 HydrophobicContact CG1-CG1 4.38Å; V64-V311 HydrophobicContact CG2-CG1 3.96Å; V64-W803 HydrophobicContact CG1-CD2 4.03Å; V64-W803 HydrophobicContact CG1-CE3 4.05Å; V64-W803 HydrophobicContact CG1-CH2 4.27Å; V64-W803 HydrophobicContact CG1-CZ2 4.23Å; V64-W803 HydrophobicContact CG1-CZ3 4.17Å; V64-W803 HydrophobicContact CG2-CB 4.4Å; V64-W803 HydrophobicContact CG2-CD2 4.05Å; V64-W803 HydrophobicContact CG2-CE3 3.75Å; V64-W803 HydrophobicContact CG2-CG 4.34Å; V64-W803 HydrophobicContact CG2-CZ3 4.38Å; V64-V805 HydrophobicContact CG2-CB 4.17Å; V64-V805 HydrophobicContact CG2-CG1 4.23Å; V64-V805 HydrophobicContact CG2-CG2 3.81Å
65C98.6Very high95.1Very high4 Ų424.9 Ų24.93%0.02714%0.137CC..EExtended strand (participates in β ladder)trans-107.1102.9172.9-60.30000109.7L67 Y139 I290 V311 I312 H313C65-L67 HydrophobicContact CB-CD1 4.19Å; C65-L67 WeakPolarHBondContact O-CD1 3.5Å; C65-Y139 HydrophobicContact CB-CD2 4.25Å; C65-Y139 HydrophobicContact CB-CE2 4.08Å; C65-I290 HydrophobicContact CB-CD1 3.72Å; C65-V311 PolarHBondContact N-O 3.07Å; C65-I312 HydrophobicContact CB-CG1 4.32Å; C65-I312 WeakPolarHBondContact O-CA 3.41Å; C65-H313 PolarHBondContact O-N 2.58Å
66F98.7Very high95.3Very high0 Ų024.2 Ų24.20%013%0.134CC..EExtended strand (participates in β ladder)trans-94.5107.1-176.2-164-83.2000110.9F71 A122 F125 M129 Y137 Y139 H313 N315 W803F66-F71 HydrophobicContact CD1-CE1 4.41Å; F66-F71 HydrophobicContact CD1-CZ 4.37Å; F66-A122 HydrophobicContact CD1-CB 4.5Å; F66-A122 HydrophobicContact CE1-CB 3.8Å; F66-F125 AromaticContact CE2-CD2 3.74Å; F66-F125 HydrophobicContact CE2-CD2 3.74Å; F66-F125 HydrophobicContact CE2-CE2 4.36Å; F66-F125 AromaticContact CZ-CD2 3.87Å; F66-F125 HydrophobicContact CZ-CD2 3.87Å; F66-F125 HydrophobicContact CZ-CE2 4.47Å; F66-M129 HydrophobicContact CB-CE 4.41Å; F66-Y137 PolarHBondContact N-O 3.21Å; F66-Y139 PolarHBondContact O-N 3.06Å; F66-H313 HydrophobicContact CD2-CB 4.04Å; F66-H313 AromaticContact CD2-CD2 3.64Å; F66-H313 AromaticContact CE2-CD2 3.25Å; F66-H313 WeakPolarHBondContact CE2-CD2 3.26Å; F66-H313 AromaticContact CE2-NE2 4Å; F66-N315 HydrophobicContact CE1-CB 3.72Å; F66-N315 HydrophobicContact CZ-CB 3.81Å; F66-W803 HydrophobicContact CD2-CZ2 4.38Å
67L98.7Very high95.5Very high0 Ų023.9 Ų23.90%013%0.133CC..EExtended strand (participates in β ladder)trans-95.4124.3-177.2-80.858.8000109.9C65 Y139 V283 T286 I312 H313 N315 P319 A322C65-L67 HydrophobicContact CB-CD1 4.19Å; C65-L67 WeakPolarHBondContact O-CD1 3.5Å; L67-Y139 HydrophobicContact CD1-CD2 4.2Å; L67-V283 HydrophobicContact CD2-CG1 4.44Å; L67-T286 HydrophobicContact CD1-CG2 3.87Å; L67-T286 HydrophobicContact CD2-CG2 4.21Å; L67-T286 HydrophobicContact CG-CG2 4.06Å; L67-I312 HydrophobicContact CD1-CG2 3.65Å; L67-I312 HydrophobicContact CD2-CG2 3.88Å; L67-I312 HydrophobicContact CG-CG2 4.36Å; L67-H313 PolarHBondContact N-O 3.17Å; L67-N315 WeakPolarHBondContact O-CB 3.42Å; L67-N315 PolarHBondContact O-N 2.87Å; L67-P319 HydrophobicContact CB-CB 3.91Å; L67-P319 HydrophobicContact CB-CG 4.04Å; L67-P319 HydrophobicContact CD2-CB 4.17Å; L67-A322 HydrophobicContact CD2-CB 4.37Å
68S98.2Very high95.8Very high0 Ų023.7 Ų23.70%012%0.12CC..  trans-146.3139.4177.4-172.50000110.8E70 Y139 G140 N315S68-E70 WeakPolarHBondContact CB-O 3.45Å; S68-E70 PolarHBondContact O-N 2.88Å; S68-E70 PolarHBondContact OG-N 2.93Å; S68-E70 PolarHBondContact OG-O 2.96Å; S68-Y139 PolarHBondContact N-O 3.47Å; S68-Y139 VanDerWaalsContact N-O 3.08Å; S68-G140 WeakPolarHBondContact O-CA 3.29Å; S68-N315 PolarHBondContact OG-ND2 2.72Å
69M96.6Very high96.1Very high1 Ų119.5 Ų19.51%0.0059%0.094CC..SBendtrans-69.6-20.1170.9-80.4-62.6-76.900112.9I141 Y143 Q278 E279 L282 H318M69-I141 HydrophobicContact CE-CD1 4.01Å; M69-I141 HydrophobicContact SD-CD1 3.86Å; M69-Y143 WeakPolarHBondContact CE-OH 3.39Å; M69-Y143 VanDerWaalsContact O-CE2 3.22Å; M69-Y143 WeakPolarHBondContact O-CE2 3.4Å; M69-Y143 PolarHBondContact O-OH 3.15Å; M69-Q278 HydrophobicContact CE-CB 3.64Å; M69-E279 HydrophobicContact CE-CG 4.26Å; M69-E279 HydrophobicContact CG-CG 4.32Å; M69-E279 HydrophobicContact SD-CG 4.12Å; M69-L282 HydrophobicContact CG-CD2 4.36Å; M69-L282 HydrophobicContact SD-CB 4.49Å; M69-L282 HydrophobicContact SD-CD2 3.82Å; M69-H318 HydrophobicContact CB-CB 4.14Å; M69-H318 HydrophobicContact CG-CB 3.32Å
70E95.4Very high96.4Very high2 Ų213.8 Ų13.81%0.0097%0.067CC..  trans-134143.5177.648.2169.9-151.900113.9S68 L113 N115 G116 L118 G119 L262S68-E70 WeakPolarHBondContact CB-O 3.45Å; S68-E70 PolarHBondContact O-N 2.88Å; S68-E70 PolarHBondContact OG-N 2.93Å; S68-E70 PolarHBondContact OG-O 2.96Å; E70-L113 CarbonylContact C-O 3.58Å; E70-L113 VanDerWaalsContact CA-O 3.27Å; E70-L113 WeakPolarHBondContact CA-O 3.36Å; E70-N115 PolarHBondContact OE2-N 3.28Å; E70-G116 PolarHBondContact OE2-N 3.48Å; E70-L118 HydrophobicContact CG-CD2 4.05Å; E70-L118 HydrophobicContact CG-CG 4.22Å; E70-L118 WeakPolarHBondContact OE1-CB 3.34Å; E70-G119 VanDerWaalsContact CG-CA 3.47Å; E70-G119 WeakPolarHBondContact O-CA 3.45Å; E70-G119 PolarHBondContact OE1-N 3.49Å; E70-L262 HydrophobicContact CB-CD1 4.46Å; E70-L262 HydrophobicContact CB-CD2 4.37Å
71F97.5Very high96.8Very high3 Ų312 Ų121%0.0136%0.058CC..  trans-134.796.9169.2-71.1-86000108.9F66 M73 L113 A122 L126 Y139 L224F66-F71 HydrophobicContact CD1-CE1 4.41Å; F66-F71 HydrophobicContact CD1-CZ 4.37Å; F71-M73 VanDerWaalsContact C-N 3.26Å; F71-M73 HydrophobicContact CB-CG 4.18Å; F71-M73 HydrophobicContact CB-SD 4.09Å; F71-M73 PolarHBondContact O-N 3.04Å; F71-L113 CarbonylContact C-O 3.52Å; F71-L113 HydrophobicContact CB-CB 4.5Å; F71-L113 PolarHBondContact N-O 3.44Å; F71-L113 CarbonylContact O-C 3.54Å; F71-L113 WeakPolarHBondContact O-CB 3.43Å; F71-A122 HydrophobicContact CD1-CB 3.72Å; F71-A122 HydrophobicContact CE1-CB 3.73Å; F71-L126 HydrophobicContact CD1-CD1 3.53Å; F71-L126 HydrophobicContact CD1-CG 4.21Å; F71-L126 HydrophobicContact CE1-CD1 3.55Å; F71-L126 HydrophobicContact CE1-CD2 4.21Å; F71-L126 HydrophobicContact CE1-CG 3.91Å; F71-Y139 WeakPolarHBondContact CE2-O 3.35Å; F71-L224 HydrophobicContact CB-CD2 4.22Å; F71-L224 HydrophobicContact CD1-CD1 4.05Å; F71-L224 HydrophobicContact CD1-CD2 4.47Å; F71-L224 HydrophobicContact CD2-CD1 3.77Å; F71-L224 HydrophobicContact CE1-CD1 4.01Å; F71-L224 HydrophobicContact CE2-CD1 3.73Å; F71-L224 HydrophobicContact CG-CD1 3.93Å; F71-L224 HydrophobicContact CG-CD2 4.2Å; F71-L224 HydrophobicContact CZ-CD1 3.85Å
72F96.3Very high96.9Very high22 Ų2212.4 Ų12.410%0.0966%0.059CC..  trans-83.971-175.8-157177.7000110.7G74 G114 N115 G119 R120 R627 V628F72-G74 PolarHBondContact O-N 3.49Å; F72-G114 WeakPolarHBondContact CD2-O 3.48Å; F72-G114 WeakPolarHBondContact CE2-O 3.42Å; F72-N115 WeakPolarHBondContact CE1-O 3.48Å; F72-G119 VanDerWaalsContact N-C 3.29Å; F72-G119 PolarHBondContact N-O 3.32Å; F72-R120 HydrophobicContact CB-CB 4.2Å; F72-R120 VanDerWaalsContact O-CD 3.23Å; F72-R120 WeakPolarHBondContact O-CD 3.42Å; F72-R120 PolarHBondContact O-NH1 3.08Å; F72-R627 HydrophobicContact CE2-CB 4.45Å; F72-R627 HydrophobicContact CZ-CB 4.12Å; F72-V628 HydrophobicContact CD1-CG2 4.17Å; F72-V628 HydrophobicContact CD2-CG2 3.59Å; F72-V628 HydrophobicContact CE1-CG2 4.35Å; F72-V628 HydrophobicContact CE2-CG2 3.8Å; F72-V628 HydrophobicContact CG-CG2 3.81Å; F72-V628 HydrophobicContact CZ-CG2 4.19Å
73M97.2Very high96.8Very high20 Ų2010.4 Ų10.410%0.0995%0.05CC..  trans-66.3-38.2-167.5-61.6-57.2-74.900113.6F71 A111 R120 A123 L126 I213 L224F71-M73 VanDerWaalsContact C-N 3.26Å; F71-M73 HydrophobicContact CB-CG 4.18Å; F71-M73 HydrophobicContact CB-SD 4.09Å; F71-M73 PolarHBondContact O-N 3.04Å; M73-A111 HydrophobicContact CB-CB 4.31Å; M73-R120 PolarHBondContact O-NH1 3.1Å; M73-A123 HydrophobicContact SD-CB 3.49Å; M73-A123 WeakPolarHBondContact SD-CB 3.32Å; M73-L126 HydrophobicContact SD-CD1 4.4Å; M73-I213 HydrophobicContact CE-CD1 3.59Å; M73-L224 HydrophobicContact CE-CD2 4.34Å; M73-L224 HydrophobicContact CG-CD2 4.23Å; M73-L224 HydrophobicContact SD-CD2 4.1Å
74G96Very high96.7Very high1 Ų19.3 Ų9.31%0.015%0.045CC..BIsolated β-bridgetrans76.1-153.4-168.800000111.8F72 A111F72-G74 PolarHBondContact O-N 3.49Å; G74-A111 PolarHBondContact O-N 3.18Å
75R97Very high96.3Very high21 Ų2112.5 Ų12.58%0.0796%0.062CC..  trans-73.6141.8172.2-70.8-177.9179.9156.3-7.2111.1E106 E108 R467R75-E106 IonicContact CZ-OE1 2.79Å; R75-E106 IonicContact CZ-OE2 2.74Å; R75-E106 IonicContact NH1-OE1 3.79Å; R75-E106 PolarHBondContact NH1-OE1 2.68Å; R75-E106 IonicContact NH1-OE2 3.8Å; R75-E106 PolarHBondContact NH1-OE2 3.09Å; R75-E106 PolarHBondContact NH2-O 2.73Å; R75-E106 IonicContact NH2-OE1 3.97Å; R75-E106 IonicContact NH2-OE2 3.44Å; R75-E106 PolarHBondContact NH2-OE2 2.92Å; R75-E108 HydrophobicContact CB-CG 4.18Å; R75-E108 WeakPolarHBondContact CB-OE2 3.25Å; R75-E108 HydrophobicContact CG-CB 4.07Å; R75-E108 HydrophobicContact CG-CG 3.93Å; R75-E108 PolarHBondContact NE-O 2.92Å; R75-R467 VanDerWaalsContact O-CZ 3.31Å; R75-R467 PolarHBondContact O-NH1 3.46Å; R75-R467 PolarHBondContact O-NH2 3.04Å
76T97.2Very high96Very high20 Ų2012.3 Ų12.312%0.1236%0.06CC..  trans-100.4-34.4-173.9-61.10000112.2K78 N79 T80 E108 W171T76-K78 PolarHBondContact O-N 2.71Å; T76-N79 PolarHBondContact O-N 3.5Å; T76-T80 VanDerWaalsContact CG2-OG1 3.3Å; T76-T80 WeakPolarHBondContact CG2-OG1 3.39Å; T76-T80 WeakPolarHBondContact O-CB 3.3Å; T76-T80 PolarHBondContact O-N 3.31Å; T76-T80 PolarHBondContact O-OG1 3.35Å; T76-E108 WeakPolarHBondContact CB-OE1 3.39Å; T76-E108 PolarHBondContact N-OE1 3.05Å; T76-E108 PolarHBondContact N-OE2 2.92Å; T76-E108 VanDerWaalsContact N-OE2 3.1Å; T76-W171 HydrophobicContact CG2-CB 4.42Å; T76-W171 HydrophobicContact CG2-CD2 3.58Å; T76-W171 HydrophobicContact CG2-CE3 3.88Å; T76-W171 HydrophobicContact CG2-CG 3.82Å; T76-W171 HydrophobicContact CG2-CZ2 4.39Å; T76-W171 HydrophobicContact CG2-CZ3 4.41Å
77L97.4Very high95.8Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-52.4-60.9-170.6179.257.9000112.7Y34 L37 V41 N79 T80 M81 E105 E108 W171Y34-L77 HydrophobicContact CD2-CD2 4.1Å; Y34-L77 HydrophobicContact CE2-CD2 4.16Å; L37-L77 HydrophobicContact CD2-CD1 4.45Å; L37-L77 HydrophobicContact CD2-CD2 3.87Å; L37-L77 HydrophobicContact CG-CD1 4.14Å; L37-L77 HydrophobicContact CG-CD2 4.32Å; V41-L77 HydrophobicContact CB-CD1 4.4Å; V41-L77 HydrophobicContact CG2-CD1 3.84Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.24Å; L77-T80 PolarHBondContact O-N 3.17Å; L77-T80 VanDerWaalsContact O-N 3.16Å; L77-M81 HydrophobicContact CD1-CE 4.43Å; L77-M81 HydrophobicContact CD1-CG 4.13Å; L77-M81 HydrophobicContact CD1-SD 4.02Å; L77-M81 HydrophobicContact CG-CE 4.04Å; L77-M81 HydrophobicContact CG-SD 4.29Å; L77-M81 WeakPolarHBondContact O-CG 3.35Å; L77-M81 PolarHBondContact O-N 2.98Å; L77-E105 HydrophobicContact CD2-CG 4.12Å; L77-E108 WeakPolarHBondContact CB-OE2 3.41Å; L77-E108 PolarHBondContact N-OE1 3.45Å; L77-E108 PolarHBondContact N-OE2 3.29Å; L77-W171 VanDerWaalsContact CA-CZ2 3.47Å; L77-W171 HydrophobicContact CB-CZ2 3.77Å; L77-W171 HydrophobicContact CD1-CH2 3.89Å; L77-W171 HydrophobicContact CD1-CZ2 3.79Å; L77-W171 HydrophobicContact CG-CZ2 4.39Å
78K95.4Very high95.5Very high62 Ų6222.3 Ų22.327%0.2711%0.111SC..Hα-helixtrans-59.3-42.9-176.6-166.4166.7-167.2134.10113.2T76 L82 E105 V471T76-K78 PolarHBondContact O-N 2.71Å; K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 PolarHBondContact O-N 2.88Å; K78-L82 VanDerWaalsContact O-N 3.09Å; K78-E105 WeakPolarHBondContact CD-OE1 3.3Å; K78-E105 WeakPolarHBondContact CD-OE2 3.48Å; K78-E105 VanDerWaalsContact CG-OE1 3.31Å; K78-E105 WeakPolarHBondContact CG-OE1 3.38Å; K78-E105 IonicContact NZ-OE1 3.33Å; K78-E105 IonicContact NZ-OE2 2.71Å; K78-E105 PolarHBondContact NZ-OE2 2.87Å; K78-V471 HydrophobicContact CB-CG1 4.35Å; K78-V471 HydrophobicContact CD-CG1 3.67Å; K78-V471 HydrophobicContact CG-CG1 3.81Å; K78-V471 HydrophobicContact CG-CG2 4.48Å
79N96Very high95.3Very high16 Ų1623.1 Ų23.19%0.08612%0.118CC..Hα-helixtrans-66.5-39.2178.7-174.184.7000112T76 L77 L82 N83T76-N79 PolarHBondContact O-N 3.5Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.24Å; N79-L82 PolarHBondContact O-N 3.34Å; N79-N83 PolarHBondContact ND2-ND2 3.41Å; N79-N83 WeakPolarHBondContact O-CB 3.36Å; N79-N83 PolarHBondContact O-N 3.2Å
80T96.5Very high95.2Very high1 Ų123.1 Ų23.11%0.00612%0.118CC..Hα-helixtrans-67.7-47.7177.2-64.60000111.1V41 L45 T76 L77 L82 N83 V84 W171 P214V41-T80 HydrophobicContact CG1-CG2 3.31Å; L45-T80 HydrophobicContact CD1-CG2 3.38Å; L45-T80 HydrophobicContact CD2-CG2 3.91Å; L45-T80 HydrophobicContact CG-CG2 3.8Å; T76-T80 VanDerWaalsContact CG2-OG1 3.3Å; T76-T80 WeakPolarHBondContact CG2-OG1 3.39Å; T76-T80 WeakPolarHBondContact O-CB 3.3Å; T76-T80 PolarHBondContact O-N 3.31Å; T76-T80 PolarHBondContact O-OG1 3.35Å; L77-T80 PolarHBondContact O-N 3.17Å; L77-T80 VanDerWaalsContact O-N 3.16Å; T80-L82 PolarHBondContact O-N 3.24Å; T80-N83 PolarHBondContact O-N 3.32Å; T80-N83 VanDerWaalsContact O-N 3.12Å; T80-V84 HydrophobicContact CG2-CG1 4.29Å; T80-V84 WeakPolarHBondContact O-CG2 3.3Å; T80-V84 PolarHBondContact O-N 2.97Å; T80-W171 HydrophobicContact CG2-CH2 4.49Å; T80-W171 HydrophobicContact CG2-CZ3 4.14Å; T80-P214 HydrophobicContact CG2-CG 4.3Å
81M95.4Very high95.1Very high0 Ų026.8 Ų26.80%014%0.138CC..Hα-helixtrans-55.5-39.8176.5-68.2-169.8-57.200111.9V41 L77 D85 A86 T87 L90 I101 E105V41-M81 HydrophobicContact CG1-CG 4.22Å; V41-M81 HydrophobicContact CG2-CG 3.7Å; V41-M81 HydrophobicContact CG2-SD 4.2Å; L77-M81 HydrophobicContact CD1-CE 4.43Å; L77-M81 HydrophobicContact CD1-CG 4.13Å; L77-M81 HydrophobicContact CD1-SD 4.02Å; L77-M81 HydrophobicContact CG-CE 4.04Å; L77-M81 HydrophobicContact CG-SD 4.29Å; L77-M81 WeakPolarHBondContact O-CG 3.35Å; L77-M81 PolarHBondContact O-N 2.98Å; M81-D85 PolarHBondContact O-N 2.9Å; M81-A86 PolarHBondContact O-N 2.98Å; M81-T87 PolarHBondContact O-N 3.38Å; M81-T87 PolarHBondContact O-OG1 3.19Å; M81-L90 HydrophobicContact CB-CD1 4.39Å; M81-L90 HydrophobicContact CG-CD1 3.63Å; M81-L90 HydrophobicContact SD-CB 4.21Å; M81-L90 HydrophobicContact SD-CD1 3.53Å; M81-L90 VanDerWaalsContact SD-CD1 3.53Å; M81-L90 HydrophobicContact SD-CG 4.5Å; M81-I101 HydrophobicContact CE-CD1 3.89Å; M81-I101 HydrophobicContact CE-CG1 4.39Å; M81-I101 HydrophobicContact SD-CD1 3.87Å; M81-E105 HydrophobicContact CE-CG 4.5Å; M81-E105 VanDerWaalsContact CE-OE1 3.29Å; M81-E105 WeakPolarHBondContact CE-OE1 3.34Å
82L95Very high95.1Very high22 Ų2231.6 Ų31.612%0.11516%0.16CC..Hα-helixtrans-64.9-52.2174.6179.368.8000111.4K78 N79 T80 V84 D85 T87 Y216 R466 L470 V471K78-L82 WeakPolarHBondContact O-CB 3.45Å; K78-L82 PolarHBondContact O-N 2.88Å; K78-L82 VanDerWaalsContact O-N 3.09Å; N79-L82 PolarHBondContact O-N 3.34Å; T80-L82 PolarHBondContact O-N 3.24Å; L82-V84 VanDerWaalsContact C-N 3.31Å; L82-V84 PolarHBondContact O-N 3.41Å; L82-D85 PolarHBondContact O-N 2.8Å; L82-D85 VanDerWaalsContact O-N 3.13Å; L82-T87 WeakPolarHBondContact CA-OG1 3.46Å; L82-T87 PolarHBondContact N-OG1 3.49Å; L82-Y216 HydrophobicContact CD1-CE2 4.12Å; L82-Y216 HydrophobicContact CD2-CE2 4.4Å; L82-Y216 HydrophobicContact CG-CD2 4.29Å; L82-Y216 HydrophobicContact CG-CE2 3.99Å; L82-R466 HydrophobicContact CD2-CB 4.16Å; L82-L470 HydrophobicContact CD1-CB 4.47Å; L82-L470 HydrophobicContact CD1-CD2 4.26Å; L82-L470 HydrophobicContact CD2-CB 3.63Å; L82-L470 HydrophobicContact CD2-CD2 4.05Å; L82-V471 HydrophobicContact CB-CG2 4.45Å; L82-V471 HydrophobicContact CD2-CG2 3.64Å
83N95.2Very high95Very high0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-66.4-33.4-174.2-75.8-5.8000112.4N79 T80 D85 D127 P214 R217N79-N83 PolarHBondContact ND2-ND2 3.41Å; N79-N83 WeakPolarHBondContact O-CB 3.36Å; N79-N83 PolarHBondContact O-N 3.2Å; T80-N83 PolarHBondContact O-N 3.32Å; T80-N83 VanDerWaalsContact O-N 3.12Å; N83-D85 VanDerWaalsContact C-N 3.31Å; N83-D127 PolarHBondContact ND2-OD1 2.96Å; N83-P214 HydrophobicContact CB-CB 4Å; N83-P214 HydrophobicContact CB-CG 3.93Å; N83-P214 PolarHBondContact ND2-O 3.07Å; N83-R217 PolarHBondContact O-N 3.18Å
84V93.3Very high95Very high0 Ų029.6 Ų29.60%015%0.151CC..THydrogen-bonded Turntrans-85.7-0.3176.1-53.30000114.6Q4 Q44 L45 R48 T80 L82 A86 P214Q4-V84 PolarHBondContact NE2-O 2.99Å; Q44-V84 HydrophobicContact CB-CG2 4.23Å; L45-V84 HydrophobicContact CD2-CG1 3.36Å; L45-V84 HydrophobicContact CG-CG1 4.12Å; R48-V84 PolarHBondContact NH2-O 2.98Å; T80-V84 HydrophobicContact CG2-CG1 4.29Å; T80-V84 WeakPolarHBondContact O-CG2 3.3Å; T80-V84 PolarHBondContact O-N 2.97Å; L82-V84 VanDerWaalsContact C-N 3.31Å; L82-V84 PolarHBondContact O-N 3.41Å; V84-A86 HydrophobicContact CG2-CB 3.76Å; V84-P214 HydrophobicContact CG1-CB 4.22Å
85D91.6Very high95Very high67 Ų6738.4 Ų38.436%0.35819%0.185SC..THydrogen-bonded Turntrans61.141.6-179.2-151.631.1000114.2Q4 M81 L82 N83 R217Q4-D85 VanDerWaalsContact CD-O 3.23Å; Q4-D85 PolarHBondContact NE2-O 3.28Å; M81-D85 PolarHBondContact O-N 2.9Å; L82-D85 PolarHBondContact O-N 2.8Å; L82-D85 VanDerWaalsContact O-N 3.13Å; N83-D85 VanDerWaalsContact C-N 3.31Å; D85-R217 HydrophobicContact CB-CG 4.13Å; D85-R217 VanDerWaalsContact CG-NE 3.26Å; D85-R217 IonicContact OD1-CZ 2.77Å; D85-R217 IonicContact OD1-NE 3.71Å; D85-R217 PolarHBondContact OD1-NE 2.98Å; D85-R217 IonicContact OD1-NH2 2.73Å; D85-R217 PolarHBondContact OD1-NH2 2.79Å; D85-R217 IonicContact OD2-CZ 2.7Å; D85-R217 IonicContact OD2-NE 3.87Å; D85-R217 PolarHBondContact OD2-NE 3.18Å
86A92.5Very high94.9Very high0 Ų041.7 Ų41.70%020%0.201CC..  trans-115.55.1-178.900000113.6M81 V84 L90M81-A86 PolarHBondContact O-N 2.98Å; V84-A86 HydrophobicContact CG2-CB 3.76Å; A86-L90 HydrophobicContact CB-CD1 3.75Å; A86-L90 HydrophobicContact CB-CG 4.25Å; A86-L90 VanDerWaalsContact O-CB 3.25Å; A86-L90 WeakPolarHBondContact O-CB 3.39Å; A86-L90 WeakPolarHBondContact O-CD1 3.41Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 2.66Å
87T92.6Very high94.8Very high51 Ų5141.5 Ų41.531%0.31320%0.199SC..Hα-helixtrans-60.9-55.7-171-55.80000112.1M81 L82 A89 L90 D91M81-T87 PolarHBondContact O-N 3.38Å; M81-T87 PolarHBondContact O-OG1 3.19Å; L82-T87 WeakPolarHBondContact CA-OG1 3.46Å; L82-T87 PolarHBondContact N-OG1 3.49Å; T87-A89 PolarHBondContact O-N 2.74Å; T87-L90 PolarHBondContact O-N 3.17Å; T87-D91 WeakPolarHBondContact O-CB 3.38Å; T87-D91 PolarHBondContact O-N 2.77Å
88E92.4Very high94.7Very high159 Ų15944.8 Ų44.874%0.74323%0.233SC*.Hα-helixtrans-62.5-43.9-177.3-65.5173.5-169.400112L90 D91 E92E88-L90 PolarHBondContact O-N 2.94Å; E88-D91 PolarHBondContact O-N 2.86Å; E88-E92 PolarHBondContact O-N 3.47Å
89A94.1Very high94.8Very high18 Ų1842.8 Ų42.815%0.14923%0.225CC..Hα-helixtrans-69.3-32.8-179.200000113.2Q4 L9 T87 A93Q4-A89 WeakPolarHBondContact O-CB 3.5Å; L9-A89 HydrophobicContact CD1-CB 3.56Å; T87-A89 PolarHBondContact O-N 2.74Å; A89-A93 VanDerWaalsContact O-CB 3.27Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 2.85Å
90L95Very high94.7Very high0 Ų045.7 Ų45.70%024%0.241CC..Hα-helixtrans-73.5-39.7174.2-76.3166.7000111.6L9 L37 T40 V41 M81 A86 T87 E88 A93 M94 I101L9-L90 HydrophobicContact CB-CD2 4.04Å; L9-L90 HydrophobicContact CD1-CD2 3.97Å; L9-L90 HydrophobicContact CD1-CG 3.96Å; L9-L90 HydrophobicContact CD2-CD2 4.07Å; L9-L90 HydrophobicContact CG-CD2 4.25Å; L37-L90 HydrophobicContact CD1-CD2 3.88Å; T40-L90 HydrophobicContact CG2-CD2 4.09Å; V41-L90 HydrophobicContact CG2-CD1 3.51Å; M81-L90 HydrophobicContact CB-CD1 4.39Å; M81-L90 HydrophobicContact CG-CD1 3.63Å; M81-L90 HydrophobicContact SD-CB 4.21Å; M81-L90 HydrophobicContact SD-CD1 3.53Å; M81-L90 VanDerWaalsContact SD-CD1 3.53Å; M81-L90 HydrophobicContact SD-CG 4.5Å; A86-L90 HydrophobicContact CB-CD1 3.75Å; A86-L90 HydrophobicContact CB-CG 4.25Å; A86-L90 VanDerWaalsContact O-CB 3.25Å; A86-L90 WeakPolarHBondContact O-CB 3.39Å; A86-L90 WeakPolarHBondContact O-CD1 3.41Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.38Å; A86-L90 PolarHBondContact O-N 2.66Å; T87-L90 PolarHBondContact O-N 3.17Å; E88-L90 PolarHBondContact O-N 2.94Å; L90-A93 PolarHBondContact O-N 3.15Å; L90-M94 WeakPolarHBondContact O-CB 3.3Å; L90-M94 VanDerWaalsContact O-CG 3.29Å; L90-M94 WeakPolarHBondContact O-CG 3.47Å; L90-M94 PolarHBondContact O-N 3.43Å; L90-I101 HydrophobicContact CB-CD1 4.16Å
91D94.5Very high94.7Very high80 Ų8046.1 Ų46.143%0.42824%0.243SC..Hα-helixtrans-59.6-49.2174.9-171.428.4000110.6T87 E88 A93 M94 Y95 I101T87-D91 WeakPolarHBondContact O-CB 3.38Å; T87-D91 PolarHBondContact O-N 2.77Å; E88-D91 PolarHBondContact O-N 2.86Å; D91-A93 VanDerWaalsContact C-N 3.33Å; D91-A93 PolarHBondContact O-N 3.39Å; D91-M94 PolarHBondContact O-N 3.25Å; D91-Y95 WeakPolarHBondContact O-CB 3.45Å; D91-Y95 PolarHBondContact O-N 2.97Å; D91-I101 HydrophobicContact CB-CD1 4.42Å; D91-I101 HydrophobicContact CB-CG2 4.43Å; D91-I101 VanDerWaalsContact OD1-CG2 3.24Å; D91-I101 WeakPolarHBondContact OD1-CG2 3.24Å
92E95.7Very high94.5Very high103 Ų10351.3 Ų51.348%0.48127%0.267SS..Hα-helixtrans-58.5-43.9173.9-171.3-173.1166.300112A6 E88 Y95 Q96A6-E92 HydrophobicContact CB-CB 4.26Å; A6-E92 HydrophobicContact CB-CG 4.24Å; E88-E92 PolarHBondContact O-N 3.47Å; E92-Y95 PolarHBondContact O-N 3.45Å; E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.35Å; E92-Q96 PolarHBondContact O-N 3.33Å; E92-Q96 PolarHBondContact OE1-NE2 3.36Å
93A95.7Very high94.5Very high0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-64.1-41179.400000112.5A6 L9 R10 A89 L90 D91 L97A6-A93 HydrophobicContact CB-CB 4.35Å; L9-A93 HydrophobicContact CB-CB 4.29Å; R10-A93 HydrophobicContact CB-CB 4.38Å; A89-A93 VanDerWaalsContact O-CB 3.27Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 2.85Å; L90-A93 PolarHBondContact O-N 3.15Å; D91-A93 VanDerWaalsContact C-N 3.33Å; D91-A93 PolarHBondContact O-N 3.39Å; A93-L97 WeakPolarHBondContact O-CG 3.41Å; A93-L97 PolarHBondContact O-N 3.42Å
94M96.5Very high94.5Very high0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-68.6-42.6177.6-68.7-50.596.100110.7F13 L37 L90 D91 Q96 L97 G98 L99 I101 L104F13-M94 HydrophobicContact CB-CE 4.1Å; F13-M94 HydrophobicContact CD1-CE 4.43Å; F13-M94 HydrophobicContact CD2-CE 3.58Å; F13-M94 HydrophobicContact CD2-SD 3.82Å; F13-M94 HydrophobicContact CE2-CE 4.05Å; F13-M94 HydrophobicContact CE2-SD 3.65Å; F13-M94 HydrophobicContact CG-CE 3.78Å; F13-M94 HydrophobicContact CG-SD 4.45Å; F13-M94 HydrophobicContact CZ-SD 4.17Å; L37-M94 HydrophobicContact CD1-CE 4.31Å; L37-M94 HydrophobicContact CD1-CG 4.41Å; L37-M94 HydrophobicContact CD1-SD 4.13Å; L37-M94 HydrophobicContact CD2-CG 4.44Å; L37-M94 HydrophobicContact CD2-SD 4.47Å; L90-M94 WeakPolarHBondContact O-CB 3.3Å; L90-M94 VanDerWaalsContact O-CG 3.29Å; L90-M94 WeakPolarHBondContact O-CG 3.47Å; L90-M94 PolarHBondContact O-N 3.43Å; D91-M94 PolarHBondContact O-N 3.25Å; M94-Q96 PolarHBondContact O-N 2.99Å; M94-L97 HydrophobicContact CE-CD1 3.84Å; M94-L97 CarbonylContact O-C 3.54Å; M94-L97 WeakPolarHBondContact O-CA 3.47Å; M94-L97 WeakPolarHBondContact O-CB 3.2Å; M94-L97 PolarHBondContact O-N 3.22Å; M94-G98 PolarHBondContact O-N 3.15Å; M94-G98 VanDerWaalsContact O-N 3.14Å; M94-L99 CarbonylContact C-O 3.53Å; M94-L99 HydrophobicContact CB-CB 4.26Å; M94-L99 PolarHBondContact O-N 2.95Å; M94-L99 HydrophobicContact SD-CD1 4.19Å; M94-I101 HydrophobicContact CB-CB 4.43Å; M94-I101 HydrophobicContact CG-CB 4.43Å; M94-I101 HydrophobicContact CG-CD1 4.29Å; M94-I101 HydrophobicContact CG-CG1 4.31Å; M94-L104 HydrophobicContact CG-CD1 4.33Å; M94-L104 HydrophobicContact SD-CD1 4.04Å
95Y96.2Very high94.6Very high186 Ų18656.4 Ų56.473%0.72929%0.29SS*.Hα-helixtrans-58.1-46.5175.3177.5-100.7000112.1D91 E92 L97 G98 L99D91-Y95 WeakPolarHBondContact O-CB 3.45Å; D91-Y95 PolarHBondContact O-N 2.97Å; E92-Y95 PolarHBondContact O-N 3.45Å; Y95-L97 PolarHBondContact O-N 2.97Å; Y95-G98 WeakPolarHBondContact O-CA 3.48Å; Y95-G98 PolarHBondContact O-N 2.76Å; Y95-L99 PolarHBondContact N-O 2.76Å
96Q95.7Very high94.7Very high90 Ų9055.6 Ų55.642%0.42129%0.285SS..Hα-helixtrans-63.3-24176.2-71.5176.912.500113.3E92 M94 G98E92-Q96 VanDerWaalsContact O-CG 3.29Å; E92-Q96 WeakPolarHBondContact O-CG 3.35Å; E92-Q96 PolarHBondContact O-N 3.33Å; E92-Q96 PolarHBondContact OE1-NE2 3.36Å; M94-Q96 PolarHBondContact O-N 2.99Å; Q96-G98 VanDerWaalsContact C-N 3.32Å
97L94.6Very high94.8Very high16 Ų1658.6 Ų58.68%0.08430%0.299CS..THydrogen-bonded Turntrans-84-7.2173.2-75.4174000112.7R10 F13 R25 A93 M94 Y95 L99R10-L97 HydrophobicContact CG-CD1 3.88Å; R10-L97 HydrophobicContact CG-CD2 3.72Å; R10-L97 HydrophobicContact CG-CG 3.76Å; F13-L97 HydrophobicContact CB-CD1 4.46Å; F13-L97 HydrophobicContact CD1-CD1 3.39Å; F13-L97 HydrophobicContact CE1-CD1 3.74Å; F13-L97 HydrophobicContact CG-CD1 4Å; R25-L97 PolarHBondContact NH1-O 2.85Å; R25-L97 VanDerWaalsContact NH1-O 3.09Å; R25-L97 PolarHBondContact NH2-O 2.94Å; A93-L97 WeakPolarHBondContact O-CG 3.41Å; A93-L97 PolarHBondContact O-N 3.42Å; M94-L97 HydrophobicContact CE-CD1 3.84Å; M94-L97 CarbonylContact O-C 3.54Å; M94-L97 WeakPolarHBondContact O-CA 3.47Å; M94-L97 WeakPolarHBondContact O-CB 3.2Å; M94-L97 PolarHBondContact O-N 3.22Å; Y95-L97 PolarHBondContact O-N 2.97Å; L97-L99 HydrophobicContact CB-CD1 4.34Å; L97-L99 HydrophobicContact CB-CG 4.4Å
98G95.7Very high94.9Very high69 Ų6956.6 Ų56.671%0.71129%0.287SS*.THydrogen-bonded Turntrans7729.8-174.900000113.2M94 Y95 Q96M94-G98 PolarHBondContact O-N 3.15Å; M94-G98 VanDerWaalsContact O-N 3.14Å; Y95-G98 WeakPolarHBondContact O-CA 3.48Å; Y95-G98 PolarHBondContact O-N 2.76Å; Q96-G98 VanDerWaalsContact C-N 3.32Å
99L96.4Very high95Very high20 Ų2052 Ų5211%0.10527%0.271CS..  trans-116.4139.6178-61.5173.3000109.8F13 F33 M94 Y95 L97 L104F13-L99 HydrophobicContact CE1-CD1 3.99Å; F13-L99 HydrophobicContact CE2-CD1 4.43Å; F13-L99 HydrophobicContact CZ-CD1 3.57Å; F33-L99 HydrophobicContact CB-CD1 4.16Å; F33-L99 HydrophobicContact CD1-CD1 3.98Å; F33-L99 HydrophobicContact CD1-CD2 4.48Å; F33-L99 HydrophobicContact CD2-CD1 4.42Å; F33-L99 HydrophobicContact CD2-CD2 3.62Å; F33-L99 HydrophobicContact CE1-CD1 4.48Å; F33-L99 HydrophobicContact CE2-CD2 3.79Å; F33-L99 HydrophobicContact CG-CD1 3.94Å; F33-L99 HydrophobicContact CG-CD2 4.01Å; F33-L99 HydrophobicContact CZ-CD2 4.28Å; M94-L99 CarbonylContact C-O 3.53Å; M94-L99 HydrophobicContact CB-CB 4.26Å; M94-L99 PolarHBondContact O-N 2.95Å; M94-L99 HydrophobicContact SD-CD1 4.19Å; Y95-L99 PolarHBondContact N-O 2.76Å; L97-L99 HydrophobicContact CB-CD1 4.34Å; L97-L99 HydrophobicContact CB-CG 4.4Å; L99-L104 HydrophobicContact CB-CD1 4.31Å; L99-L104 HydrophobicContact CD1-CD1 4.4Å
100D95.2Very high95.1Very high77 Ų7751.7 Ų51.741%0.41227%0.267SS..  trans-89.2120170.4-174.7-19.7000109.5E102 E103 L104D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.24Å; D100-E102 WeakPolarHBondContact OD1-CB 3.3Å; D100-E102 PolarHBondContact OD1-N 2.91Å; D100-E103 HydrophobicContact CB-CB 4.24Å; D100-E103 HydrophobicContact CB-CG 3.94Å; D100-E103 PolarHBondContact O-N 3.01Å; D100-L104 WeakPolarHBondContact O-CG 3.49Å; D100-L104 PolarHBondContact O-N 2.78Å
101I94.9Very high95.1Very high11 Ų1152.2 Ų52.26%0.05627%0.271CS..Hα-helixtrans-65.3-31.5-179.2-158.9165.9000112.2L37 M81 L90 D91 M94 L104 E105L37-I101 HydrophobicContact CD2-CD1 4.37Å; L37-I101 HydrophobicContact CD2-CG1 4Å; M81-I101 HydrophobicContact CE-CD1 3.89Å; M81-I101 HydrophobicContact CE-CG1 4.39Å; M81-I101 HydrophobicContact SD-CD1 3.87Å; L90-I101 HydrophobicContact CB-CD1 4.16Å; D91-I101 HydrophobicContact CB-CD1 4.42Å; D91-I101 HydrophobicContact CB-CG2 4.43Å; D91-I101 VanDerWaalsContact OD1-CG2 3.24Å; D91-I101 WeakPolarHBondContact OD1-CG2 3.24Å; M94-I101 HydrophobicContact CB-CB 4.43Å; M94-I101 HydrophobicContact CG-CB 4.43Å; M94-I101 HydrophobicContact CG-CD1 4.29Å; M94-I101 HydrophobicContact CG-CG1 4.31Å; I101-L104 PolarHBondContact O-N 2.91Å; I101-E105 VanDerWaalsContact O-CG 3.31Å; I101-E105 WeakPolarHBondContact O-CG 3.22Å; I101-E105 PolarHBondContact O-N 3.3Å
102E92.4Very high95.1Very high109 Ų10948.5 Ų48.551%0.50925%0.252SS..Hα-helixtrans-68.3-37.5178.8-63.5-163.1167.600111.3D100 L104 E105 E106D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.24Å; D100-E102 WeakPolarHBondContact OD1-CB 3.3Å; D100-E102 PolarHBondContact OD1-N 2.91Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-E105 PolarHBondContact O-N 2.87Å; E102-E106 PolarHBondContact O-N 2.91Å; E102-E106 VanDerWaalsContact O-N 3.11Å
103E93.6Very high95.1Very high111 Ų11143.9 Ų43.952%0.51923%0.23SC..Hα-helixtrans-64.5-39.2173.4-66.7-170.3162.800111.4M30 D100 E106 M107M30-E103 HydrophobicContact CE-CB 3.57Å; M30-E103 WeakPolarHBondContact CE-OE2 3.43Å; D100-E103 HydrophobicContact CB-CB 4.24Å; D100-E103 HydrophobicContact CB-CG 3.94Å; D100-E103 PolarHBondContact O-N 3.01Å; E103-E106 PolarHBondContact O-N 2.9Å; E103-M107 PolarHBondContact O-N 3.27Å
104L96.2Very high94.9Very high0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-67.3-37.5175.5-60.9179.4000112.2M30 F33 Y34 L37 M94 L99 D100 I101 E102 E106 M107M30-L104 HydrophobicContact CE-CD2 3.63Å; M30-L104 HydrophobicContact CE-CG 4.34Å; M30-L104 HydrophobicContact SD-CD2 4.3Å; F33-L104 HydrophobicContact CB-CD1 4.49Å; F33-L104 HydrophobicContact CB-CD2 3.55Å; Y34-L104 WeakPolarHBondContact CD2-O 3.46Å; L37-L104 HydrophobicContact CD2-CB 4.15Å; L37-L104 HydrophobicContact CD2-CD1 3.82Å; M94-L104 HydrophobicContact CG-CD1 4.33Å; M94-L104 HydrophobicContact SD-CD1 4.04Å; L99-L104 HydrophobicContact CB-CD1 4.31Å; L99-L104 HydrophobicContact CD1-CD1 4.4Å; D100-L104 WeakPolarHBondContact O-CG 3.49Å; D100-L104 PolarHBondContact O-N 2.78Å; I101-L104 PolarHBondContact O-N 2.91Å; E102-L104 VanDerWaalsContact C-N 3.33Å; L104-E106 VanDerWaalsContact C-N 3.27Å; L104-E106 PolarHBondContact O-N 3.1Å; L104-M107 WeakPolarHBondContact O-CB 3.39Å; L104-M107 PolarHBondContact O-N 2.78Å
105E94.8Very high94.4Very high17 Ų1745.6 Ų45.68%0.07924%0.241CC..Hα-helixtrans-62.4-33.7173.9-74.1177.3162.900112.2L77 K78 M81 I101 E102 M107 E108L77-E105 HydrophobicContact CD2-CG 4.12Å; K78-E105 WeakPolarHBondContact CD-OE1 3.3Å; K78-E105 WeakPolarHBondContact CD-OE2 3.48Å; K78-E105 VanDerWaalsContact CG-OE1 3.31Å; K78-E105 WeakPolarHBondContact CG-OE1 3.38Å; K78-E105 IonicContact NZ-OE1 3.33Å; K78-E105 IonicContact NZ-OE2 2.71Å; K78-E105 PolarHBondContact NZ-OE2 2.87Å; M81-E105 HydrophobicContact CE-CG 4.5Å; M81-E105 VanDerWaalsContact CE-OE1 3.29Å; M81-E105 WeakPolarHBondContact CE-OE1 3.34Å; I101-E105 VanDerWaalsContact O-CG 3.31Å; I101-E105 WeakPolarHBondContact O-CG 3.22Å; I101-E105 PolarHBondContact O-N 3.3Å; E102-E105 PolarHBondContact O-N 2.87Å; E105-M107 VanDerWaalsContact C-N 3.29Å; E105-M107 PolarHBondContact O-N 3.19Å; E105-E108 PolarHBondContact O-N 2.93Å
106E93.2Very high94Very high51 Ų5137.4 Ų37.424%0.23821%0.213CC..Hα-helixtrans-70.5-23177.3-75.9-53.5126.200113.9R75 E102 E103 L104 E108 R633R75-E106 IonicContact CZ-OE1 2.79Å; R75-E106 IonicContact CZ-OE2 2.74Å; R75-E106 IonicContact NH1-OE1 3.79Å; R75-E106 PolarHBondContact NH1-OE1 2.68Å; R75-E106 IonicContact NH1-OE2 3.8Å; R75-E106 PolarHBondContact NH1-OE2 3.09Å; R75-E106 PolarHBondContact NH2-O 2.73Å; R75-E106 IonicContact NH2-OE1 3.97Å; R75-E106 IonicContact NH2-OE2 3.44Å; R75-E106 PolarHBondContact NH2-OE2 2.92Å; E102-E106 PolarHBondContact O-N 2.91Å; E102-E106 VanDerWaalsContact O-N 3.11Å; E103-E106 PolarHBondContact O-N 2.9Å; L104-E106 VanDerWaalsContact C-N 3.27Å; L104-E106 PolarHBondContact O-N 3.1Å; E106-E108 PolarHBondContact O-N 2.7Å; E106-R633 VanDerWaalsContact CD-NH2 3.3Å; E106-R633 IonicContact OE1-CZ 3.72Å; E106-R633 IonicContact OE1-NE 2.71Å; E106-R633 IonicContact OE1-NH2 2.74Å; E106-R633 PolarHBondContact OE1-NH2 3.11Å; E106-R633 IonicContact OE2-NH2 3.96Å
107M94.7Very high93.7Very high63 Ų6335 Ų3531%0.3121%0.213SC..THydrogen-bonded Turntrans-68.2-21.4175.9-63.3-56.1-57.600113M30 R31 Y34 E103 L104 E105M30-M107 HydrophobicContact CB-CE 4.48Å; M30-M107 HydrophobicContact CB-CG 4.24Å; M30-M107 HydrophobicContact CB-SD 4.05Å; R31-M107 HydrophobicContact CB-CE 4.04Å; Y34-M107 HydrophobicContact CD1-CB 4.33Å; Y34-M107 HydrophobicContact CD2-CB 4.47Å; Y34-M107 HydrophobicContact CG-CB 3.93Å; E103-M107 PolarHBondContact O-N 3.27Å; L104-M107 WeakPolarHBondContact O-CB 3.39Å; L104-M107 PolarHBondContact O-N 2.78Å; E105-M107 VanDerWaalsContact C-N 3.29Å; E105-M107 PolarHBondContact O-N 3.19Å
108E96.2Very high93.6Very high9 Ų935.3 Ų35.34%0.04221%0.214CC..PPolyproline II helixtrans-72.9130.8179.4-172.4171.2-156.700111.5Y34 R75 T76 L77 E105 E106 W171Y34-E108 HydrophobicContact CD2-CB 4.43Å; Y34-E108 HydrophobicContact CE2-CB 3.65Å; Y34-E108 HydrophobicContact CE2-CG 4.07Å; Y34-E108 WeakPolarHBondContact OH-CG 3.48Å; R75-E108 HydrophobicContact CB-CG 4.18Å; R75-E108 WeakPolarHBondContact CB-OE2 3.25Å; R75-E108 HydrophobicContact CG-CB 4.07Å; R75-E108 HydrophobicContact CG-CG 3.93Å; R75-E108 PolarHBondContact NE-O 2.92Å; T76-E108 WeakPolarHBondContact CB-OE1 3.39Å; T76-E108 PolarHBondContact N-OE1 3.05Å; T76-E108 PolarHBondContact N-OE2 2.92Å; T76-E108 VanDerWaalsContact N-OE2 3.1Å; L77-E108 WeakPolarHBondContact CB-OE2 3.41Å; L77-E108 PolarHBondContact N-OE1 3.45Å; L77-E108 PolarHBondContact N-OE2 3.29Å; E105-E108 PolarHBondContact O-N 2.93Å; E106-E108 PolarHBondContact O-N 2.7Å; E108-W171 PolarHBondContact OE1-NE1 3.49Å
109C94.1Very high93.6Very high63 Ų6332 Ų3243%0.42618%0.18SC..PPolyproline II helixtrans-82.3143.2170.6-640000110.4A111 W164C109-A111 PolarHBondContact O-N 3.4Å; C109-W164 HydrophobicContact CB-CB 4.3Å
110D95.9Very high93.6Very high11 Ų1131.6 Ų31.66%0.05918%0.178CC..PPolyproline II helixtrans-60.5136.5167.6-73.948.4000109.3G112 R627 V628 S629D110-G112 PolarHBondContact O-N 2.93Å; D110-R627 IonicContact OD1-NE 2.75Å; D110-V628 PolarHBondContact OD2-N 2.85Å; D110-V628 VanDerWaalsContact OD2-N 3.14Å; D110-S629 WeakPolarHBondContact OD1-CB 3.18Å; D110-S629 PolarHBondContact OD1-OG 3.45Å; D110-S629 PolarHBondContact OD2-N 3.24Å; D110-S629 PolarHBondContact OD2-OG 2.93Å
111A95.9Very high93.7Very high10 Ų1028.1 Ų28.18%0.08316%0.159CC..BIsolated β-bridgetrans-65.5120.2173.900000110.9M73 G74 C109 L113 W164M73-A111 HydrophobicContact CB-CB 4.31Å; G74-A111 PolarHBondContact O-N 3.18Å; C109-A111 PolarHBondContact O-N 3.4Å; A111-L113 HydrophobicContact CB-CD1 4.02Å; A111-L113 HydrophobicContact CB-CG 4.18Å; A111-L113 PolarHBondContact O-N 3.01Å; A111-W164 HydrophobicContact CB-CE3 4Å; A111-W164 HydrophobicContact CB-CH2 4.2Å; A111-W164 HydrophobicContact CB-CZ3 3.75Å
112G93.5Very high93.8Very high2 Ų227.6 Ų27.62%0.02116%0.156CC..SBendtrans-72.353.5178.900000112.9D110 G146D110-G112 PolarHBondContact O-N 2.93Å; G112-G146 WeakPolarHBondContact O-CA 2.98Å
113L95.5Very high94.1Very high6 Ų622.5 Ų22.53%0.03113%0.133CC..SBendtrans-1150.9-172.1-65.2175.7000113.1E70 F71 A111 I141 Y143 W164 L226E70-L113 CarbonylContact C-O 3.58Å; E70-L113 VanDerWaalsContact CA-O 3.27Å; E70-L113 WeakPolarHBondContact CA-O 3.36Å; F71-L113 CarbonylContact C-O 3.52Å; F71-L113 HydrophobicContact CB-CB 4.5Å; F71-L113 PolarHBondContact N-O 3.44Å; F71-L113 CarbonylContact O-C 3.54Å; F71-L113 WeakPolarHBondContact O-CB 3.43Å; A111-L113 HydrophobicContact CB-CD1 4.02Å; A111-L113 HydrophobicContact CB-CG 4.18Å; A111-L113 PolarHBondContact O-N 3.01Å; L113-I141 WeakPolarHBondContact CD2-O 3.42Å; L113-Y143 HydrophobicContact CD2-CD2 4.33Å; L113-W164 HydrophobicContact CD1-CH2 4.19Å; L113-W164 HydrophobicContact CD1-CZ2 4.47Å; L113-W164 HydrophobicContact CD2-CH2 4.3Å; L113-W164 HydrophobicContact CD2-CZ2 3.8Å; L113-W164 HydrophobicContact CG-CH2 4.16Å; L113-W164 HydrophobicContact CG-CZ2 3.96Å; L113-L226 HydrophobicContact CD1-CD1 3.48Å; L113-L226 VanDerWaalsContact CD1-CD1 3.48Å; L113-L226 HydrophobicContact CD1-CD2 4.4Å; L113-L226 HydrophobicContact CD2-CD1 4.05Å; L113-L226 HydrophobicContact CG-CD1 4.43Å
114G92.5Very high94.4Very high6 Ų617.3 Ų17.36%0.06211%0.109CC..  trans-164165.8178.700000112.9F72 L262F72-G114 WeakPolarHBondContact CD2-O 3.48Å; F72-G114 WeakPolarHBondContact CE2-O 3.42Å; G114-L262 VanDerWaalsContact CA-CD2 3.5Å
115N85Confident94.5Very high30 Ų3017.3 Ų17.316%0.1611%0.109CC..  trans-125.3-28.4-175.9-173.230.4000113.4E70 F72 A147 L262E70-N115 PolarHBondContact OE2-N 3.28Å; F72-N115 WeakPolarHBondContact CE1-O 3.48Å; N115-A147 HydrophobicContact CB-CB 4.21Å; N115-L262 HydrophobicContact CB-CD2 4.03Å
116G88Confident94.7Very high14 Ų1416.7 Ų16.714%0.14411%0.106CC..SBendtrans-141.1-157-168.800000116.8E70 R120E70-G116 PolarHBondContact OE2-N 3.48Å; G116-R120 WeakPolarHBondContact O-CB 3.48Å; G116-R120 PolarHBondContact O-N 2.91Å
117G89.6Confident94.9Very high41 Ų4114.7 Ų14.742%0.42310%0.097SC..Hα-helixtrans-64.8-37.6-176.900000113.2R120 L121G117-R120 PolarHBondContact O-N 3.48Å; G117-L121 VanDerWaalsContact O-CB 3.29Å; G117-L121 WeakPolarHBondContact O-CB 3.32Å; G117-L121 PolarHBondContact O-N 3.29Å
118L92.8Very high95.1Very high21 Ų2111.7 Ų11.711%0.118%0.082CC..Hα-helixtrans-62.8-47.8179.1169.980.8000110.9E70 R120 L121 A122 N315 D316 H354E70-L118 HydrophobicContact CG-CD2 4.05Å; E70-L118 HydrophobicContact CG-CG 4.22Å; E70-L118 WeakPolarHBondContact OE1-CB 3.34Å; L118-R120 PolarHBondContact O-N 2.85Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.31Å; L118-A122 PolarHBondContact O-N 3.47Å; L118-N315 WeakPolarHBondContact CD1-ND2 3.22Å; L118-N315 WeakPolarHBondContact CD1-OD1 3.2Å; L118-D316 HydrophobicContact CD1-CB 4.13Å; L118-D316 HydrophobicContact CD2-CB 4.22Å; L118-H354 WeakPolarHBondContact CD1-CD2 3.47Å; L118-H354 VanDerWaalsContact CD1-NE2 3.3Å; L118-H354 WeakPolarHBondContact CD1-NE2 3.44Å
119G94.5Very high95.2Very high0 Ų011.3 Ų11.30%08%0.08CC..Hα-helixtrans-70.2-34.1178.400000112.4E70 F72 A122 A123E70-G119 VanDerWaalsContact CG-CA 3.47Å; E70-G119 WeakPolarHBondContact O-CA 3.45Å; E70-G119 PolarHBondContact OE1-N 3.49Å; F72-G119 VanDerWaalsContact N-C 3.29Å; F72-G119 PolarHBondContact N-O 3.32Å; G119-A122 PolarHBondContact O-N 3.33Å; G119-A123 WeakPolarHBondContact O-CB 3.41Å; G119-A123 PolarHBondContact O-N 2.82Å
120R97.6Very high95.4Very high12 Ų128.3 Ų8.35%0.0456%0.06CC..Hα-helixtrans-71.7-32.5175.7-166.954.1-108-170.6-2.8112.5F72 M73 G116 G117 L118 A123 C124 W468F72-R120 HydrophobicContact CB-CB 4.2Å; F72-R120 VanDerWaalsContact O-CD 3.23Å; F72-R120 WeakPolarHBondContact O-CD 3.42Å; F72-R120 PolarHBondContact O-NH1 3.08Å; M73-R120 PolarHBondContact O-NH1 3.1Å; G116-R120 WeakPolarHBondContact O-CB 3.48Å; G116-R120 PolarHBondContact O-N 2.91Å; G117-R120 PolarHBondContact O-N 3.48Å; L118-R120 PolarHBondContact O-N 2.85Å; R120-A123 VanDerWaalsContact CZ-CB 3.49Å; R120-C124 PolarHBondContact O-N 3Å; R120-C124 PolarHBondContact O-SG 3.28Å; R120-W468 HydrophobicContact CG-CZ2 3.99Å
121L96.9Very high95.5Very high3 Ų38.2 Ų8.22%0.0166%0.06CC..Hα-helixtrans-63.2-51.7171.1-176.976.2000110.2G117 L118 A123 C124 F125 H354 N461 T654G117-L121 VanDerWaalsContact O-CB 3.29Å; G117-L121 WeakPolarHBondContact O-CB 3.32Å; G117-L121 PolarHBondContact O-N 3.29Å; L118-L121 WeakPolarHBondContact O-CB 3.32Å; L118-L121 PolarHBondContact O-N 3.31Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.14Å; L121-C124 CarbonylContact O-C 3.46Å; L121-C124 WeakPolarHBondContact O-CA 3.38Å; L121-C124 PolarHBondContact O-N 2.85Å; L121-F125 HydrophobicContact CD1-CD1 4.11Å; L121-F125 HydrophobicContact CD1-CE1 3.4Å; L121-F125 VanDerWaalsContact CD1-CE1 3.4Å; L121-F125 HydrophobicContact CD1-CE2 4.38Å; L121-F125 HydrophobicContact CD1-CZ 3.56Å; L121-F125 HydrophobicContact CD2-CE2 4.09Å; L121-F125 HydrophobicContact CD2-CZ 3.94Å; L121-F125 HydrophobicContact CG-CD1 4.25Å; L121-F125 HydrophobicContact CG-CD2 4.43Å; L121-F125 HydrophobicContact CG-CE1 3.83Å; L121-F125 HydrophobicContact CG-CE2 4.03Å; L121-F125 HydrophobicContact CG-CZ 3.7Å; L121-F125 PolarHBondContact O-N 3.08Å; L121-H354 VanDerWaalsContact CD2-CE1 3.48Å; L121-H354 WeakPolarHBondContact CD2-CE1 3.29Å; L121-N461 HydrophobicContact CD1-CB 3.9Å; L121-N461 WeakPolarHBondContact CD1-OD1 3.39Å; L121-N461 VanDerWaalsContact CD2-OD1 3.25Å; L121-N461 WeakPolarHBondContact CD2-OD1 3.43Å; L121-T654 HydrophobicContact CD1-CG2 4.35Å
122A97.9Very high95.5Very high0 Ų09.1 Ų9.10%06%0.063CC..Hα-helixtrans-53.9-46.3177.100000111.3F66 F71 L118 G119 C124 F125 L126F66-A122 HydrophobicContact CD1-CB 4.5Å; F66-A122 HydrophobicContact CE1-CB 3.8Å; F71-A122 HydrophobicContact CD1-CB 3.72Å; F71-A122 HydrophobicContact CE1-CB 3.73Å; L118-A122 PolarHBondContact O-N 3.47Å; G119-A122 PolarHBondContact O-N 3.33Å; A122-C124 PolarHBondContact O-N 2.97Å; A122-F125 PolarHBondContact O-N 3.01Å; A122-L126 WeakPolarHBondContact O-CG 3.45Å; A122-L126 PolarHBondContact O-N 3.17Å
123A98.3Very high95.7Very high2 Ų29.2 Ų9.22%0.0176%0.064CC..Hα-helixtrans-62.9-36.4175.700000113.7M73 G119 R120 L121 D127M73-A123 HydrophobicContact SD-CB 3.49Å; M73-A123 WeakPolarHBondContact SD-CB 3.32Å; G119-A123 WeakPolarHBondContact O-CB 3.41Å; G119-A123 PolarHBondContact O-N 2.82Å; R120-A123 VanDerWaalsContact CZ-CB 3.49Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.14Å; A123-D127 PolarHBondContact O-N 2.83Å
124C98.6Very high95.8Very high2 Ų29 Ų91%0.0146%0.062CC..Hα-helixtrans-70.8-34.7173.3-76.10000112.5R120 L121 A122 D127 S128 S464R120-C124 PolarHBondContact O-N 3Å; R120-C124 PolarHBondContact O-SG 3.28Å; L121-C124 CarbonylContact O-C 3.46Å; L121-C124 WeakPolarHBondContact O-CA 3.38Å; L121-C124 PolarHBondContact O-N 2.85Å; A122-C124 PolarHBondContact O-N 2.97Å; C124-D127 PolarHBondContact O-N 3.09Å; C124-S128 WeakPolarHBondContact O-CB 3.46Å; C124-S128 PolarHBondContact O-N 3.42Å; C124-S128 PolarHBondContact O-OG 2.91Å; C124-S464 PolarHBondContact SG-N 2.93Å
125F98.5Very high96Very high1 Ų18.7 Ų8.70%0.0046%0.059CC..Hα-helixtrans-67.8-40.6176.5-75.26.8000111.8F66 L121 A122 D127 S128 M129 T794 V795 Y798F66-F125 AromaticContact CE2-CD2 3.74Å; F66-F125 HydrophobicContact CE2-CD2 3.74Å; F66-F125 HydrophobicContact CE2-CE2 4.36Å; F66-F125 AromaticContact CZ-CD2 3.87Å; F66-F125 HydrophobicContact CZ-CD2 3.87Å; F66-F125 HydrophobicContact CZ-CE2 4.47Å; L121-F125 HydrophobicContact CD1-CD1 4.11Å; L121-F125 HydrophobicContact CD1-CE1 3.4Å; L121-F125 VanDerWaalsContact CD1-CE1 3.4Å; L121-F125 HydrophobicContact CD1-CE2 4.38Å; L121-F125 HydrophobicContact CD1-CZ 3.56Å; L121-F125 HydrophobicContact CD2-CE2 4.09Å; L121-F125 HydrophobicContact CD2-CZ 3.94Å; L121-F125 HydrophobicContact CG-CD1 4.25Å; L121-F125 HydrophobicContact CG-CD2 4.43Å; L121-F125 HydrophobicContact CG-CE1 3.83Å; L121-F125 HydrophobicContact CG-CE2 4.03Å; L121-F125 HydrophobicContact CG-CZ 3.7Å; L121-F125 PolarHBondContact O-N 3.08Å; A122-F125 PolarHBondContact O-N 3.01Å; F125-D127 VanDerWaalsContact C-N 3.34Å; F125-D127 PolarHBondContact O-N 3.28Å; F125-S128 PolarHBondContact O-N 2.75Å; F125-M129 WeakPolarHBondContact O-CB 3.37Å; F125-M129 WeakPolarHBondContact O-CG 3.43Å; F125-M129 PolarHBondContact O-N 2.79Å; F125-T794 HydrophobicContact CE1-CG2 3.74Å; F125-T794 HydrophobicContact CZ-CG2 3.54Å; F125-V795 HydrophobicContact CB-CG2 4.12Å; F125-V795 HydrophobicContact CD1-CG2 3.88Å; F125-V795 HydrophobicContact CE1-CG2 4.44Å; F125-V795 HydrophobicContact CG-CG2 3.95Å; F125-Y798 HydrophobicContact CE2-CD2 4.39Å; F125-Y798 AromaticContact CE2-CE2 3.8Å; F125-Y798 HydrophobicContact CE2-CE2 3.8Å; F125-Y798 AromaticContact CZ-CE2 3.9Å; F125-Y798 HydrophobicContact CZ-CE2 3.9Å
126L98.5Very high96.6Very high4 Ų47.3 Ų7.32%0.0215%0.052CC..Hα-helixtrans-56.9-48173.8-68-175.3000111.8F71 M73 A122 S128 M129 A130 I213 L224F71-L126 HydrophobicContact CD1-CD1 3.53Å; F71-L126 HydrophobicContact CD1-CG 4.21Å; F71-L126 HydrophobicContact CE1-CD1 3.55Å; F71-L126 HydrophobicContact CE1-CD2 4.21Å; F71-L126 HydrophobicContact CE1-CG 3.91Å; M73-L126 HydrophobicContact SD-CD1 4.4Å; A122-L126 WeakPolarHBondContact O-CG 3.45Å; A122-L126 PolarHBondContact O-N 3.17Å; L126-S128 PolarHBondContact O-N 2.75Å; L126-M129 HydrophobicContact CD2-CE 3.67Å; L126-M129 PolarHBondContact O-N 3.49Å; L126-A130 PolarHBondContact O-N 3.1Å; L126-I213 HydrophobicContact CB-CG2 4.05Å; L126-I213 HydrophobicContact CD1-CD1 4.33Å; L126-I213 HydrophobicContact CD1-CG1 4.36Å; L126-L224 HydrophobicContact CD1-CB 4.05Å; L126-L224 HydrophobicContact CD1-CD1 4.11Å; L126-L224 HydrophobicContact CD1-CD2 4.14Å; L126-L224 HydrophobicContact CD1-CG 4.32Å
127D98.5Very high97.1Very high9 Ų97.4 Ų7.45%0.0485%0.048CC..Hα-helixtrans-63.7-39.2178176.584.5000112.1N83 A123 C124 F125 T131 S464 R466N83-D127 PolarHBondContact ND2-OD1 2.96Å; A123-D127 PolarHBondContact O-N 2.83Å; C124-D127 PolarHBondContact O-N 3.09Å; F125-D127 VanDerWaalsContact C-N 3.34Å; F125-D127 PolarHBondContact O-N 3.28Å; D127-T131 VanDerWaalsContact O-CB 3.26Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.33Å; D127-T131 PolarHBondContact O-OG1 3.42Å; D127-S464 VanDerWaalsContact OD2-CB 3.27Å; D127-S464 WeakPolarHBondContact OD2-CB 3.38Å; D127-S464 PolarHBondContact OD2-OG 3.09Å; D127-R466 IonicContact OD2-CZ 2.95Å; D127-R466 IonicContact OD2-NE 3.86Å; D127-R466 PolarHBondContact OD2-NE 3.31Å; D127-R466 IonicContact OD2-NH2 3.29Å; D127-R466 PolarHBondContact OD2-NH2 3.43Å
128S98.6Very high97.6Very high0 Ų05.4 Ų5.40%03%0.028CC..Hα-helixtrans-66.9-43.7173.8-77.70000113.2C124 F125 L126 A130 T131 I132 R466 S791 D792C124-S128 WeakPolarHBondContact O-CB 3.46Å; C124-S128 PolarHBondContact O-N 3.42Å; C124-S128 PolarHBondContact O-OG 2.91Å; F125-S128 PolarHBondContact O-N 2.75Å; L126-S128 PolarHBondContact O-N 2.75Å; S128-A130 VanDerWaalsContact C-N 3.34Å; S128-A130 PolarHBondContact O-N 3.01Å; S128-T131 PolarHBondContact O-N 3.35Å; S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.23Å; S128-I132 VanDerWaalsContact O-CG1 3.24Å; S128-I132 WeakPolarHBondContact O-CG1 3.4Å; S128-I132 PolarHBondContact O-N 3.3Å; S128-R466 PolarHBondContact OG-NH2 3.32Å; S128-R466 VanDerWaalsContact OG-NH2 3.16Å; S128-S791 VanDerWaalsContact OG-CB 3.3Å; S128-S791 WeakPolarHBondContact OG-CB 3.48Å; S128-S791 PolarHBondContact OG-OG 3.21Å; S128-D792 VanDerWaalsContact CB-OD1 3.28Å; S128-D792 WeakPolarHBondContact CB-OD1 3.36Å; S128-D792 PolarHBondContact OG-N 2.96Å; S128-D792 PolarHBondContact OG-OD1 3.49Å
129M98.5Very high97.8Very high1 Ų14.4 Ų4.41%0.0052%0.023CC..Hα-helixtrans-60.1-45.5177.3-73.9-174.6-67.600110.7V64 F66 F125 L126 G133 L134 A136 V795 W803V64-M129 HydrophobicContact CB-SD 4.49Å; V64-M129 HydrophobicContact CG1-SD 4.11Å; F66-M129 HydrophobicContact CB-CE 4.41Å; F125-M129 WeakPolarHBondContact O-CB 3.37Å; F125-M129 WeakPolarHBondContact O-CG 3.43Å; F125-M129 PolarHBondContact O-N 2.79Å; L126-M129 HydrophobicContact CD2-CE 3.67Å; L126-M129 PolarHBondContact O-N 3.49Å; M129-G133 PolarHBondContact O-N 3.26Å; M129-L134 HydrophobicContact CB-CB 4.22Å; M129-L134 HydrophobicContact CG-CB 4.43Å; M129-L134 HydrophobicContact CG-CD1 4.19Å; M129-L134 PolarHBondContact O-N 3.45Å; M129-A136 HydrophobicContact CB-CB 4.03Å; M129-A136 HydrophobicContact CE-CB 4.01Å; M129-A136 HydrophobicContact CG-CB 4.28Å; M129-A136 HydrophobicContact SD-CB 3.47Å; M129-A136 WeakPolarHBondContact SD-CB 3.39Å; M129-V795 HydrophobicContact CG-CG1 3.63Å; M129-V795 HydrophobicContact CG-CG2 4.46Å; M129-W803 HydrophobicContact SD-CH2 4.15Å; M129-W803 HydrophobicContact SD-CZ3 4.05Å
130A97.9Very high98Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-65.2-40.5175.700000112.4L126 S128 G133 I213 G215 N218 T220 N222L126-A130 PolarHBondContact O-N 3.1Å; S128-A130 VanDerWaalsContact C-N 3.34Å; S128-A130 PolarHBondContact O-N 3.01Å; A130-G133 PolarHBondContact O-N 2.96Å; A130-I213 HydrophobicContact CB-CG2 4.09Å; A130-I213 VanDerWaalsContact CB-O 3.32Å; A130-I213 WeakPolarHBondContact CB-O 3.5Å; A130-G215 VanDerWaalsContact C-CA 3.45Å; A130-N218 PolarHBondContact O-ND2 2.92Å; A130-T220 WeakPolarHBondContact O-CB 3.41Å; A130-N222 HydrophobicContact CB-CB 4.33Å
131T97.5Very high98.1Very high9 Ų94 Ų46%0.0552%0.021CC..Hα-helixtrans-66.7-38.2179.7-64.20000112.9D127 S128 G133 Y216 N218 K491D127-T131 VanDerWaalsContact O-CB 3.26Å; D127-T131 WeakPolarHBondContact O-CB 3.48Å; D127-T131 PolarHBondContact O-N 3.33Å; D127-T131 PolarHBondContact O-OG1 3.42Å; S128-T131 PolarHBondContact O-N 3.35Å; T131-G133 VanDerWaalsContact C-N 3.33Å; T131-Y216 PolarHBondContact OG1-N 2.98Å; T131-N218 PolarHBondContact O-ND2 3.17Å; T131-K491 HydrophobicContact CG2-CG 4.26Å
132I96.8Very high98.1Very high29 Ų295 Ų515%0.1493%0.025CC..Hα-helixtrans-74.4-27.9177.4-65.8160.5000110.9S128 L134 D792 V795 R796 P807S128-I132 WeakPolarHBondContact O-CB 3.46Å; S128-I132 WeakPolarHBondContact O-CD1 3.23Å; S128-I132 VanDerWaalsContact O-CG1 3.24Å; S128-I132 WeakPolarHBondContact O-CG1 3.4Å; S128-I132 PolarHBondContact O-N 3.3Å; I132-L134 HydrophobicContact CB-CG 4.37Å; I132-L134 HydrophobicContact CG2-CD1 4.36Å; I132-L134 HydrophobicContact CG2-CG 3.96Å; I132-D792 HydrophobicContact CD1-CB 4.19Å; I132-V795 HydrophobicContact CD1-CB 3.96Å; I132-V795 HydrophobicContact CD1-CG1 3.66Å; I132-R796 HydrophobicContact CD1-CG 3.79Å; I132-R796 HydrophobicContact CG1-CG 4.42Å; I132-P807 HydrophobicContact CG2-CB 4.19Å; I132-P807 HydrophobicContact CG2-CG 3.73Å; I132-P807 WeakPolarHBondContact O-CB 3.35Å
133G96.8Very high98Very high3 Ų35 Ų53%0.0313%0.025CC..THydrogen-bonded Turntrans93.923.5-174.600000113.1M129 A130 T131 P807 I808M129-G133 PolarHBondContact O-N 3.26Å; A130-G133 PolarHBondContact O-N 2.96Å; T131-G133 VanDerWaalsContact C-N 3.33Å; G133-P807 WeakPolarHBondContact O-CA 3.43Å; G133-I808 PolarHBondContact O-N 3.31Å
134L97.8Very high97.8Very high1 Ų16.8 Ų6.81%0.0053%0.033CC..  trans-77.7131.7178.4-70.3172.8000110.8M129 I132 A136 N222 V795 A799 V805 P807M129-L134 HydrophobicContact CB-CB 4.22Å; M129-L134 HydrophobicContact CG-CB 4.43Å; M129-L134 HydrophobicContact CG-CD1 4.19Å; M129-L134 PolarHBondContact O-N 3.45Å; I132-L134 HydrophobicContact CB-CG 4.37Å; I132-L134 HydrophobicContact CG2-CD1 4.36Å; I132-L134 HydrophobicContact CG2-CG 3.96Å; L134-A136 PolarHBondContact O-N 2.95Å; L134-A136 VanDerWaalsContact O-N 3.1Å; L134-N222 PolarHBondContact O-ND2 3.11Å; L134-V795 HydrophobicContact CD1-CG1 3.43Å; L134-V795 VanDerWaalsContact CD1-CG1 3.43Å; L134-A799 HydrophobicContact CD1-CB 3.75Å; L134-A799 HydrophobicContact CD2-CB 4.02Å; L134-V805 HydrophobicContact CD2-CG1 4.09Å; L134-P807 HydrophobicContact CD2-CB 4.42Å; L134-P807 HydrophobicContact CD2-CG 4.02Å
135P97.7Very high97.5Very high0 Ų08.5 Ų8.50%04%0.042CC..  trans-67.1105.6173.525.8-31000110.8Y56 P61 K62 M63 V64 V805Y56-P135 HydrophobicContact CD1-CB 4.05Å; Y56-P135 HydrophobicContact CD2-CB 4.37Å; Y56-P135 HydrophobicContact CE1-CB 3.74Å; Y56-P135 HydrophobicContact CE2-CB 4.06Å; Y56-P135 HydrophobicContact CG-CB 4.37Å; Y56-P135 VanDerWaalsContact CZ-CA 3.47Å; Y56-P135 WeakPolarHBondContact OH-CA 3.36Å; P61-P135 HydrophobicContact CB-CB 4.15Å; P61-P135 HydrophobicContact CB-CG 3.71Å; P61-P135 HydrophobicContact CG-CB 3.79Å; P61-P135 HydrophobicContact CG-CG 3.93Å; K62-P135 WeakPolarHBondContact O-CG 3.44Å; M63-P135 HydrophobicContact CE-CB 3.94Å; M63-P135 HydrophobicContact SD-CB 3.62Å; V64-P135 PolarHBondContact N-O 3.33Å; P135-V805 HydrophobicContact CG-CG1 3.75Å
136A97.9Very high97.1Very high1 Ų18.4 Ų8.41%0.0084%0.042CC..EExtended strand (participates in β ladder)trans-148.6148.8-171.200000114.6V64 M129 L134 N222V64-A136 HydrophobicContact CB-CB 4.01Å; V64-A136 CarbonylContact O-C 3.59Å; V64-A136 VanDerWaalsContact O-CA 3.26Å; V64-A136 WeakPolarHBondContact O-CA 3.33Å; M129-A136 HydrophobicContact CB-CB 4.03Å; M129-A136 HydrophobicContact CE-CB 4.01Å; M129-A136 HydrophobicContact CG-CB 4.28Å; M129-A136 HydrophobicContact SD-CB 3.47Å; M129-A136 WeakPolarHBondContact SD-CB 3.39Å; L134-A136 PolarHBondContact O-N 2.95Å; L134-A136 VanDerWaalsContact O-N 3.1Å; A136-N222 WeakPolarHBondContact O-CB 3.42Å; A136-N222 VanDerWaalsContact O-CG 3.32Å; A136-N222 PolarHBondContact O-OD1 3.02Å
137Y98.4Very high96.7Very high16 Ų169 Ų96%0.0635%0.047CC..EExtended strand (participates in β ladder)trans-123135.3169.5-80.2-100.9000110.2Q53 M63 V64 F66 Y139 T223Q53-Y137 PolarHBondContact OE1-OH 3.22Å; M63-Y137 HydrophobicContact CE-CD2 3.61Å; M63-Y137 HydrophobicContact CE-CE2 3.59Å; V64-Y137 PolarHBondContact O-N 3.42Å; F66-Y137 PolarHBondContact N-O 3.21Å; Y137-Y139 VanDerWaalsContact CB-CE2 3.43Å; Y137-Y139 HydrophobicContact CD1-CE2 4.46Å; Y137-Y139 HydrophobicContact CG-CE2 4.18Å; Y137-T223 WeakPolarHBondContact CA-O 3.42Å; Y137-T223 HydrophobicContact CD1-CG2 4.06Å; Y137-T223 HydrophobicContact CE1-CG2 3.91Å
138G98.7Very high96.4Very high0 Ų09.1 Ų9.10%05%0.047CC..EExtended strand (participates in β ladder)trans-91.5135.1160.800000110.1T223 L224 R225G138-T223 PolarHBondContact N-O 2.87Å; G138-L224 CarbonylContact O-C 3.52Å; G138-L224 WeakPolarHBondContact O-CA 3.41Å; G138-R225 PolarHBondContact O-N 3.48Å
139Y98.9Very high96.2Very high0 Ų011.6 Ų11.60%06%0.059CC..EExtended strand (participates in β ladder)trans-121.2126.2174.4-72.3-87.2000110.8C65 F66 L67 S68 F71 Y137 R225 W227 T286 D289 I290C65-Y139 HydrophobicContact CB-CD2 4.25Å; C65-Y139 HydrophobicContact CB-CE2 4.08Å; F66-Y139 PolarHBondContact O-N 3.06Å; L67-Y139 HydrophobicContact CD1-CD2 4.2Å; S68-Y139 PolarHBondContact N-O 3.47Å; S68-Y139 VanDerWaalsContact N-O 3.08Å; F71-Y139 WeakPolarHBondContact CE2-O 3.35Å; Y137-Y139 VanDerWaalsContact CB-CE2 3.43Å; Y137-Y139 HydrophobicContact CD1-CE2 4.46Å; Y137-Y139 HydrophobicContact CG-CE2 4.18Å; Y139-R225 WeakPolarHBondContact CA-O 3.25Å; Y139-R225 HydrophobicContact CD1-CB 4.02Å; Y139-R225 HydrophobicContact CD1-CG 4.34Å; Y139-R225 HydrophobicContact CE1-CB 4.03Å; Y139-R225 HydrophobicContact CE1-CG 4.2Å; Y139-W227 HydrophobicContact CD1-CZ2 4.32Å; Y139-W227 AromaticContact CD1-NE1 3.82Å; Y139-W227 HydrophobicContact CE1-CZ2 4.2Å; Y139-T286 HydrophobicContact CD1-CG2 3.56Å; Y139-T286 HydrophobicContact CD2-CG2 3.67Å; Y139-T286 HydrophobicContact CE1-CG2 3.96Å; Y139-T286 HydrophobicContact CE2-CG2 4.09Å; Y139-T286 HydrophobicContact CG-CG2 3.39Å; Y139-D289 PolarHBondContact OH-OD2 3.26Å; Y139-I290 HydrophobicContact CE2-CD1 4.41Å; Y139-I290 HydrophobicContact CE2-CG1 4.34Å
140G98.5Very high96.1Very high0 Ų011.6 Ų11.60%06%0.058CC..EExtended strand (participates in β ladder)trans-150.5-169.3179.200000113.1S68 R225 L226 W227S68-G140 WeakPolarHBondContact O-CA 3.29Å; G140-R225 PolarHBondContact N-O 2.92Å; G140-L226 WeakPolarHBondContact O-CA 3.38Å; G140-W227 PolarHBondContact O-N 3.2Å
141I98.3Very high96Very high2 Ų214 Ų141%0.017%0.071CC..EExtended strand (participates in β ladder)trans-106.2139.9176.8-61.3178.4000109.2M69 L113 Y143 Q278 F281 L282M69-I141 HydrophobicContact CE-CD1 4.01Å; M69-I141 HydrophobicContact SD-CD1 3.86Å; L113-I141 WeakPolarHBondContact CD2-O 3.42Å; I141-Y143 HydrophobicContact CB-CD1 4.42Å; I141-Y143 HydrophobicContact CB-CD2 4.48Å; I141-Y143 HydrophobicContact CB-CE1 3.89Å; I141-Y143 HydrophobicContact CB-CE2 3.94Å; I141-Y143 HydrophobicContact CD1-CE1 4.29Å; I141-Y143 HydrophobicContact CG2-CD1 3.85Å; I141-Y143 HydrophobicContact CG2-CE1 3.65Å; I141-Y143 HydrophobicContact CG2-CE2 4.39Å; I141-Y143 HydrophobicContact CG2-CG 4.33Å; I141-Y143 WeakPolarHBondContact O-CD2 3.33Å; I141-Y143 PolarHBondContact O-N 2.89Å; I141-Q278 HydrophobicContact CD1-CB 3.91Å; I141-Q278 HydrophobicContact CD1-CG 4.4Å; I141-Q278 WeakPolarHBondContact CD1-O 3.43Å; I141-F281 HydrophobicContact CD1-CD1 4.42Å; I141-F281 HydrophobicContact CG1-CD1 4.46Å; I141-L282 HydrophobicContact CD1-CB 4.22Å; I141-L282 HydrophobicContact CG1-CB 4.11Å; I141-L282 HydrophobicContact CG1-CD1 4.5Å
142R97.7Very high96Very high24 Ų2415.6 Ų15.69%0.0918%0.078CC..  trans-84.982.6174.1-172.3175169.9-83.910.5109.9E144 L165 E172 L226 W227 A228R142-E144 PolarHBondContact O-N 2.54Å; R142-L165 VanDerWaalsContact CZ-CD1 3.47Å; R142-E172 IonicContact CZ-OE1 3.21Å; R142-E172 IonicContact CZ-OE2 2.78Å; R142-E172 VanDerWaalsContact NE-CD 3.33Å; R142-E172 IonicContact NE-OE1 3.1Å; R142-E172 PolarHBondContact NE-OE1 3.07Å; R142-E172 IonicContact NE-OE2 2.7Å; R142-E172 PolarHBondContact NE-OE2 3.18Å; R142-E172 IonicContact NH2-OE1 3.55Å; R142-E172 PolarHBondContact NH2-OE1 3.06Å; R142-E172 IonicContact NH2-OE2 3.98Å; R142-L226 HydrophobicContact CB-CB 3.75Å; R142-L226 HydrophobicContact CG-CB 4.49Å; R142-W227 PolarHBondContact N-O 3.07Å; R142-A228 HydrophobicContact CB-CB 4.33Å
143Y96.4Very high96Very high1 Ų120.9 Ų20.90%0.00410%0.1CC..  trans-67.9128.3179.4-55.8-76.4000112.1M69 L113 I141 W164 S259 L262M69-Y143 WeakPolarHBondContact CE-OH 3.39Å; M69-Y143 VanDerWaalsContact O-CE2 3.22Å; M69-Y143 WeakPolarHBondContact O-CE2 3.4Å; M69-Y143 PolarHBondContact O-OH 3.15Å; L113-Y143 HydrophobicContact CD2-CD2 4.33Å; I141-Y143 HydrophobicContact CB-CD1 4.42Å; I141-Y143 HydrophobicContact CB-CD2 4.48Å; I141-Y143 HydrophobicContact CB-CE1 3.89Å; I141-Y143 HydrophobicContact CB-CE2 3.94Å; I141-Y143 HydrophobicContact CD1-CE1 4.29Å; I141-Y143 HydrophobicContact CG2-CD1 3.85Å; I141-Y143 HydrophobicContact CG2-CE1 3.65Å; I141-Y143 HydrophobicContact CG2-CE2 4.39Å; I141-Y143 HydrophobicContact CG2-CG 4.33Å; I141-Y143 WeakPolarHBondContact O-CD2 3.33Å; I141-Y143 PolarHBondContact O-N 2.89Å; Y143-W164 PolarHBondContact O-NE1 2.8Å; Y143-S259 CarbonylContact C-O 3.47Å; Y143-S259 VanDerWaalsContact CA-O 3.23Å; Y143-S259 WeakPolarHBondContact CA-O 3.37Å; Y143-L262 HydrophobicContact CD1-CB 4.09Å; Y143-L262 HydrophobicContact CD2-CB 4.02Å; Y143-L262 HydrophobicContact CD2-CD1 4.33Å; Y143-L262 HydrophobicContact CE1-CB 4.16Å; Y143-L262 HydrophobicContact CE1-CD1 4.19Å; Y143-L262 HydrophobicContact CE2-CB 4.11Å; Y143-L262 HydrophobicContact CE2-CD1 3.59Å; Y143-L262 HydrophobicContact CE2-CG 4.33Å; Y143-L262 HydrophobicContact CG-CB 4Å; Y143-L262 VanDerWaalsContact CZ-CD1 3.48Å; Y143-L262 WeakPolarHBondContact OH-CD1 3.3Å
144E93.9Very high95.9Very high40 Ų4026.8 Ų26.819%0.18713%0.131CC..SBendtrans-70.6-38.9-179.2-67.3-178.6165.500113.2R142 K230 S259 R260R142-E144 PolarHBondContact O-N 2.54Å; E144-K230 IonicContact OE1-NZ 2.99Å; E144-S259 PolarHBondContact N-O 2.87Å; E144-R260 PolarHBondContact N-O 2.89Å; E144-R260 IonicContact OE2-NE 2.79Å
145N91.8Very high95.9Very high37 Ų3727.4 Ų27.420%0.19814%0.137CC..SBendtrans-121.521.3-172.9-60-73.6000113.8P161 D162 R260 V261N145-P161 HydrophobicContact CB-CB 4.37Å; N145-D162 CarbonylContact C-O 3.58Å; N145-D162 VanDerWaalsContact CA-O 3.3Å; N145-D162 WeakPolarHBondContact CA-O 3.41Å; N145-D162 VanDerWaalsContact O-CB 3.26Å; N145-D162 WeakPolarHBondContact O-CB 3.41Å; N145-D162 PolarHBondContact O-N 3.37Å; N145-R260 WeakPolarHBondContact CB-O 3.27Å; N145-R260 PolarHBondContact N-O 3.05Å; N145-R260 WeakPolarHBondContact ND2-CG 3.42Å; N145-R260 PolarHBondContact ND2-O 3.33Å; N145-V261 HydrophobicContact CB-CG2 4.37Å
146G91.1Very high95.9Very high0 Ų030.6 Ų30.60%015%0.149CC..  trans44.9-141.9-176.600000114.1G112 V261 L262G112-G146 WeakPolarHBondContact O-CA 2.98Å; G146-V261 CarbonylContact O-C 3.56Å; G146-V261 WeakPolarHBondContact O-CA 3.13Å; G146-V261 WeakPolarHBondContact O-CG1 3.42Å; G146-L262 PolarHBondContact O-N 3.1Å
147A88.3Confident95.9Very high16 Ų1630.7 Ų30.713%0.13215%0.15CC..SBendtrans-80.8-65.9171.700000110.4N115 L262N115-A147 HydrophobicContact CB-CB 4.21Å; A147-L262 HydrophobicContact CB-CD2 4.48Å
148F92.9Very high95.8Very high11 Ų1132.5 Ų32.55%0.04816%0.162CC..  trans-178.4152.6172.353.4-87.1000110Q150 E159 E160 K586 A587 P589F148-Q150 HydrophobicContact CD2-CB 4.34Å; F148-Q150 HydrophobicContact CE2-CB 4.13Å; F148-Q150 HydrophobicContact CE2-CG 4.34Å; F148-E159 HydrophobicContact CB-CB 4.06Å; F148-E159 HydrophobicContact CD1-CG 4.36Å; F148-E159 HydrophobicContact CD2-CB 3.99Å; F148-E159 HydrophobicContact CD2-CG 3.71Å; F148-E159 HydrophobicContact CE2-CG 3.91Å; F148-E159 HydrophobicContact CG-CB 4.03Å; F148-E159 HydrophobicContact CG-CG 3.96Å; F148-E159 HydrophobicContact CZ-CG 4.33Å; F148-E160 CarbonylContact C-O 3.59Å; F148-E160 WeakPolarHBondContact CA-O 3.44Å; F148-E160 WeakPolarHBondContact CB-O 3.38Å; F148-K586 HydrophobicContact CD2-CD 4.43Å; F148-K586 HydrophobicContact CE2-CB 4.1Å; F148-K586 HydrophobicContact CE2-CD 3.86Å; F148-K586 HydrophobicContact CE2-CG 4.14Å; F148-K586 HydrophobicContact CZ-CB 3.8Å; F148-K586 HydrophobicContact CZ-CD 4.02Å; F148-K586 HydrophobicContact CZ-CG 4.28Å; F148-K586 PolarHBondContact O-NZ 3.39Å; F148-A587 VanDerWaalsContact CZ-O 3.23Å; F148-A587 WeakPolarHBondContact CZ-O 3.49Å; F148-P589 HydrophobicContact CD1-CG 4.1Å; F148-P589 HydrophobicContact CE1-CG 3.94Å
149H94.1Very high95.6Very high53 Ų5335.4 Ų35.425%0.24518%0.176CC..EExtended strand (participates in β ladder)trans-76.7125.9162.4-168.2106.8000109.6E160 N625H149-E160 HydrophobicContact CB-CB 4.23Å; H149-E160 PolarHBondContact N-O 2.94Å; H149-E160 PolarHBondContact O-N 2.89Å; H149-N625 PolarHBondContact CE1-ND2 3.38Å; H149-N625 PolarHBondContact ND1-ND2 3.35Å; H149-N625 PolarHBondContact NE2-ND2 3.22Å
150Q96.2Very high95.4Very high0 Ų039.6 Ų39.60%020%0.195CC..EExtended strand (participates in β ladder)trans-91.8117.2-179-168-160.633.200111F148 Q157 G585 K586 N625F148-Q150 HydrophobicContact CD2-CB 4.34Å; F148-Q150 HydrophobicContact CE2-CB 4.13Å; F148-Q150 HydrophobicContact CE2-CG 4.34Å; Q150-Q157 HydrophobicContact CG-CG 3.73Å; Q150-G585 PolarHBondContact NE2-O 3.49Å; Q150-G585 PolarHBondContact OE1-O 2.85Å; Q150-K586 HydrophobicContact CB-CD 4.4Å; Q150-K586 HydrophobicContact CB-CG 4.18Å; Q150-K586 HydrophobicContact CG-CG 4.48Å; Q150-N625 HydrophobicContact CB-CB 4.15Å; Q150-N625 PolarHBondContact N-OD1 3.43Å; Q150-N625 WeakPolarHBondContact O-CB 3.43Å
151M96.5Very high95Very high52 Ų5243.5 Ų43.526%0.25622%0.221SC..EExtended strand (participates in β ladder)trans-102156167-67.6-62.5-86.600110.7Q157 V158 E160 R624M151-Q157 WeakPolarHBondContact O-CA 3.4Å; M151-V158 HydrophobicContact CB-CB 4.23Å; M151-V158 PolarHBondContact N-O 2.83Å; M151-V158 PolarHBondContact O-N 2.85Å; M151-E160 HydrophobicContact CG-CG 4.3Å; M151-E160 WeakPolarHBondContact CG-OE2 3.27Å; M151-R624 PolarHBondContact SD-NH1 3.33Å
152I97Very high94.6Very high42 Ų4244.9 Ų44.922%0.21523%0.228CC..EExtended strand (participates in β ladder)trans-118.3115.8171.3-57.5-65000107.5W156 I598 F622 R624I152-W156 CarbonylContact C-O 3.55Å; I152-W156 VanDerWaalsContact CA-O 3.26Å; I152-W156 WeakPolarHBondContact CA-O 3.49Å; I152-I598 HydrophobicContact CD1-CG2 3.94Å; I152-F622 HydrophobicContact CD1-CD1 4Å; I152-F622 HydrophobicContact CD1-CE1 3.96Å; I152-F622 HydrophobicContact CG1-CD1 4.28Å; I152-R624 HydrophobicContact CG1-CB 3.62Å
153K97Very high94.2Very high139 Ų13949 Ų4960%0.60425%0.249SC*.EExtended strand (participates in β ladder)trans-125.3124178.3-173.7178.4178.2-1790108.8G155 W156 V158K153-G155 PolarHBondContact O-N 3.48Å; K153-G155 VanDerWaalsContact O-N 3.07Å; K153-W156 PolarHBondContact N-O 2.73Å; K153-W156 WeakPolarHBondContact O-CB 3.34Å; K153-W156 PolarHBondContact O-N 3.37Å; K153-V158 HydrophobicContact CB-CG2 3.84Å
154D95.5Very high94.1Very high128 Ų12849.7 Ų49.768%0.68425%0.251SS*.THydrogen-bonded Turntrans51.533.8-176.2-53.9-48.5000113.2W156 K599D154-W156 VanDerWaalsContact C-N 3.26Å; D154-W156 PolarHBondContact O-N 3.18Å; D154-K599 PolarHBondContact O-NZ 2.94Å
155G96.4Very high94.2Very high13 Ų1349.1 Ų49.113%0.13425%0.249CC..THydrogen-bonded Turntrans79.7-7.5-176.200000115.5K153 K599 N602K153-G155 PolarHBondContact O-N 3.48Å; K153-G155 VanDerWaalsContact O-N 3.07Å; G155-K599 VanDerWaalsContact O-CA 3.31Å; G155-K599 WeakPolarHBondContact O-CA 3.49Å; G155-N602 PolarHBondContact O-ND2 3.21Å
156W98.1Very high94.2Very high68 Ų6852.1 Ų52.126%0.25826%0.264SS..EExtended strand (participates in β ladder)trans-88.2146.3177.4-70102000112.5I152 K153 D154 V158 M596 K599 L735I152-W156 CarbonylContact C-O 3.55Å; I152-W156 VanDerWaalsContact CA-O 3.26Å; I152-W156 WeakPolarHBondContact CA-O 3.49Å; K153-W156 PolarHBondContact N-O 2.73Å; K153-W156 WeakPolarHBondContact O-CB 3.34Å; K153-W156 PolarHBondContact O-N 3.37Å; D154-W156 VanDerWaalsContact C-N 3.26Å; D154-W156 PolarHBondContact O-N 3.18Å; W156-V158 PolarHBondContact O-N 2.81Å; W156-M596 HydrophobicContact CH2-CE 3.92Å; W156-M596 HydrophobicContact CH2-SD 3.93Å; W156-K599 HydrophobicContact CD2-CB 3.91Å; W156-K599 HydrophobicContact CD2-CD 3.99Å; W156-K599 HydrophobicContact CD2-CG 3.9Å; W156-K599 HydrophobicContact CE3-CB 3.8Å; W156-K599 HydrophobicContact CE3-CG 4.23Å; W156-K599 HydrophobicContact CG-CD 4.07Å; W156-K599 HydrophobicContact CG-CG 4.49Å; W156-K599 HydrophobicContact CH2-CB 4.22Å; W156-K599 HydrophobicContact CH2-CG 4.13Å; W156-K599 HydrophobicContact CZ2-CB 4.34Å; W156-K599 HydrophobicContact CZ2-CD 4.37Å; W156-K599 HydrophobicContact CZ2-CG 3.81Å; W156-K599 HydrophobicContact CZ3-CB 3.95Å; W156-K599 HydrophobicContact CZ3-CG 4.33Å; W156-L735 HydrophobicContact CH2-CD1 4.11Å; W156-L735 HydrophobicContact CZ2-CD1 3.68Å; W156-L735 HydrophobicContact CZ2-CD2 4.32Å
157Q98.1Very high94.2Very high3 Ų359.4 Ų59.41%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-69127.1165178.2175.7-70.700110.3Q150 M151 E159 A587 K595 I598Q150-Q157 HydrophobicContact CG-CG 3.73Å; M151-Q157 WeakPolarHBondContact O-CA 3.4Å; Q157-E159 WeakPolarHBondContact CG-OE1 3.44Å; Q157-E159 PolarHBondContact NE2-OE1 2.76Å; Q157-A587 PolarHBondContact NE2-O 3.33Å; Q157-K595 WeakPolarHBondContact O-CE 3.42Å; Q157-K595 PolarHBondContact O-NZ 3.42Å; Q157-I598 HydrophobicContact CB-CD1 4.16Å; Q157-I598 HydrophobicContact CB-CG2 4.5Å; Q157-I598 VanDerWaalsContact OE1-CD1 3.31Å
158V96.9Very high94.4Very high54 Ų5460.6 Ų60.633%0.32731%0.307SS..EExtended strand (participates in β ladder)trans-117.3131.8168.3179.60000108.2M151 K153 W156M151-V158 HydrophobicContact CB-CB 4.23Å; M151-V158 PolarHBondContact N-O 2.83Å; M151-V158 PolarHBondContact O-N 2.85Å; K153-V158 HydrophobicContact CB-CG2 3.84Å; W156-V158 PolarHBondContact O-N 2.81Å
159E94.3Very high94.5Very high60 Ų6061.5 Ų61.528%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-96120.1179.5-57.980.6-167.300110.4F148 Q157 P589 K595F148-E159 HydrophobicContact CB-CB 4.06Å; F148-E159 HydrophobicContact CD1-CG 4.36Å; F148-E159 HydrophobicContact CD2-CB 3.99Å; F148-E159 HydrophobicContact CD2-CG 3.71Å; F148-E159 HydrophobicContact CE2-CG 3.91Å; F148-E159 HydrophobicContact CG-CB 4.03Å; F148-E159 HydrophobicContact CG-CG 3.96Å; F148-E159 HydrophobicContact CZ-CG 4.33Å; Q157-E159 WeakPolarHBondContact CG-OE1 3.44Å; Q157-E159 PolarHBondContact NE2-OE1 2.76Å; E159-P589 HydrophobicContact CG-CB 4.25Å; E159-P589 HydrophobicContact CG-CG 4.17Å; E159-K595 VanDerWaalsContact CD-NZ 3.28Å; E159-K595 WeakPolarHBondContact OE1-CE 3.48Å; E159-K595 IonicContact OE1-NZ 2.72Å; E159-K595 PolarHBondContact OE1-NZ 3.28Å; E159-K595 IonicContact OE2-NZ 3.83Å; E159-K595 PolarHBondContact OE2-NZ 3.11Å
160E93.4Very high94.6Very high89 Ų8959.5 Ų59.542%0.41630%0.304SS..EExtended strand (participates in β ladder)trans-113.1156.1171.8-70.7177178.500109.9F148 H149 M151 D162F148-E160 CarbonylContact C-O 3.59Å; F148-E160 WeakPolarHBondContact CA-O 3.44Å; F148-E160 WeakPolarHBondContact CB-O 3.38Å; H149-E160 HydrophobicContact CB-CB 4.23Å; H149-E160 PolarHBondContact N-O 2.94Å; H149-E160 PolarHBondContact O-N 2.89Å; M151-E160 HydrophobicContact CG-CG 4.3Å; M151-E160 WeakPolarHBondContact CG-OE2 3.27Å; E160-D162 PolarHBondContact O-N 3.44Å
161P90.4Very high94.6Very high81 Ų8159.6 Ų59.653%0.52631%0.305SS..  trans-57.2138174.1-23.734.6000112.1N145 E163N145-P161 HydrophobicContact CB-CB 4.37Å; P161-E163 HydrophobicContact CB-CG 4.05Å; P161-E163 PolarHBondContact O-N 3.42Å
162D90.5Very high94.6Very high31 Ų3158.5 Ų58.517%0.16630%0.299CS..  trans-87.982.2173.3-167.713.2000109.6N145 E160 W164N145-D162 CarbonylContact C-O 3.58Å; N145-D162 VanDerWaalsContact CA-O 3.3Å; N145-D162 WeakPolarHBondContact CA-O 3.41Å; N145-D162 VanDerWaalsContact O-CB 3.26Å; N145-D162 WeakPolarHBondContact O-CB 3.41Å; N145-D162 PolarHBondContact O-N 3.37Å; E160-D162 PolarHBondContact O-N 3.44Å; D162-W164 PolarHBondContact O-N 3.27Å
163E89Confident94.6Very high112 Ų11261.3 Ų61.352%0.52331%0.31SS..  trans-75.146.1-171.9-54.7-173.3135.800113.9P161 L165 L166P161-E163 HydrophobicContact CB-CG 4.05Å; P161-E163 PolarHBondContact O-N 3.42Å; E163-L165 PolarHBondContact O-N 3Å; E163-L165 VanDerWaalsContact O-N 3.08Å; E163-L166 HydrophobicContact CB-CB 4.08Å; E163-L166 VanDerWaalsContact O-CB 3.27Å; E163-L166 WeakPolarHBondContact O-CB 3.45Å; E163-L166 PolarHBondContact O-N 3Å
164W94.8Very high94.6Very high14 Ų1458.4 Ų58.45%0.05330%0.298CS..THydrogen-bonded Turntrans-62.4-19.3-175.276.2-75.1000114C109 A111 L113 Y143 D162 N169C109-W164 HydrophobicContact CB-CB 4.3Å; A111-W164 HydrophobicContact CB-CE3 4Å; A111-W164 HydrophobicContact CB-CH2 4.2Å; A111-W164 HydrophobicContact CB-CZ3 3.75Å; L113-W164 HydrophobicContact CD1-CH2 4.19Å; L113-W164 HydrophobicContact CD1-CZ2 4.47Å; L113-W164 HydrophobicContact CD2-CH2 4.3Å; L113-W164 HydrophobicContact CD2-CZ2 3.8Å; L113-W164 HydrophobicContact CG-CH2 4.16Å; L113-W164 HydrophobicContact CG-CZ2 3.96Å; Y143-W164 PolarHBondContact O-NE1 2.8Å; D162-W164 PolarHBondContact O-N 3.27Å; W164-N169 HydrophobicContact CZ3-CB 4.12Å
165L95.5Very high94.6Very high28 Ų2855.8 Ų55.815%0.14728%0.279CS..THydrogen-bonded Turntrans-98.5-1177.3-65.3176.3000114.5R142 E163 Y167 G168 N169R142-L165 VanDerWaalsContact CZ-CD1 3.47Å; E163-L165 PolarHBondContact O-N 3Å; E163-L165 VanDerWaalsContact O-N 3.08Å; L165-Y167 PolarHBondContact O-N 2.75Å; L165-G168 PolarHBondContact O-N 3.39Å; L165-N169 HydrophobicContact CD2-CB 3.82Å
166L92.5Very high94.6Very high100 Ų10058.5 Ų58.552%0.52429%0.294SS..THydrogen-bonded Turntrans-50.7-35.2-173.8177.859.3000113.3E163E163-L166 HydrophobicContact CB-CB 4.08Å; E163-L166 VanDerWaalsContact O-CB 3.27Å; E163-L166 WeakPolarHBondContact O-CB 3.45Å; E163-L166 PolarHBondContact O-N 3Å
167Y91.3Very high94.5Very high153 Ų15361.4 Ų61.460%0.631%0.31SS*.THydrogen-bonded Turntrans-116.820.2-177.2-56.2-80000112.3R31 L165R31-Y167 VanDerWaalsContact NE-CB 3.27Å; R31-Y167 VanDerWaalsContact NH1-CG 3.33Å; L165-Y167 PolarHBondContact O-N 2.75Å
168G92.6Very high94.4Very high42 Ų4262.2 Ų62.243%0.43332%0.316SS..  trans78166.6-175.100000114.6L165L165-G168 PolarHBondContact O-N 3.39Å
169N95.2Very high94.4Very high29 Ų2962 Ų6216%0.15532%0.316CS..  trans-120.5112.8175.9171.717.3000109.1W164 L165 W171 E172W164-N169 HydrophobicContact CZ3-CB 4.12Å; L165-N169 HydrophobicContact CD2-CB 3.82Å; N169-W171 PolarHBondContact O-N 3.13Å; N169-W171 VanDerWaalsContact O-N 3.14Å; N169-W171 WeakPolarHBondContact OD1-CB 3.42Å; N169-W171 PolarHBondContact OD1-N 3.26Å; N169-W171 VanDerWaalsContact OD1-N 3.11Å; N169-E172 HydrophobicContact CB-CG 4.01Å; N169-E172 PolarHBondContact ND2-OE2 3.28Å
170P95.3Very high94.5Very high12 Ų1260.8 Ų60.88%0.07831%0.308CS..THydrogen-bonded Turntrans-70.8-8.1-176.229.3-34.7000113.9Y34 A38 R39Y34-P170 HydrophobicContact CE1-CG 4.29Å; Y34-P170 WeakPolarHBondContact OH-CG 3.38Å; A38-P170 HydrophobicContact CB-CB 3.9Å; A38-P170 HydrophobicContact CB-CG 3.69Å; R39-P170 PolarHBondContact NH1-O 2.7Å
171W96.3Very high94.6Very high2 Ų259.1 Ų59.11%0.00830%0.302CS..THydrogen-bonded Turntrans-99.63.1-175.1-53.7108.6000114.9A38 V41 W42 L45 T76 L77 T80 E108 N169 P212A38-W171 HydrophobicContact CB-CH2 4.14Å; A38-W171 HydrophobicContact CB-CZ2 3.7Å; V41-W171 HydrophobicContact CB-CH2 3.92Å; V41-W171 HydrophobicContact CB-CZ3 4.32Å; V41-W171 HydrophobicContact CG1-CH2 3.83Å; V41-W171 HydrophobicContact CG1-CZ3 4.05Å; W42-W171 HydrophobicContact CE3-CE3 4Å; W42-W171 HydrophobicContact CZ3-CB 4.43Å; W42-W171 WeakPolarHBondContact CZ3-O 3.35Å; L45-W171 HydrophobicContact CD1-CZ3 4.25Å; T76-W171 HydrophobicContact CG2-CB 4.42Å; T76-W171 HydrophobicContact CG2-CD2 3.58Å; T76-W171 HydrophobicContact CG2-CE3 3.88Å; T76-W171 HydrophobicContact CG2-CG 3.82Å; T76-W171 HydrophobicContact CG2-CZ2 4.39Å; T76-W171 HydrophobicContact CG2-CZ3 4.41Å; L77-W171 VanDerWaalsContact CA-CZ2 3.47Å; L77-W171 HydrophobicContact CB-CZ2 3.77Å; L77-W171 HydrophobicContact CD1-CH2 3.89Å; L77-W171 HydrophobicContact CD1-CZ2 3.79Å; L77-W171 HydrophobicContact CG-CZ2 4.39Å; T80-W171 HydrophobicContact CG2-CH2 4.49Å; T80-W171 HydrophobicContact CG2-CZ3 4.14Å; E108-W171 PolarHBondContact OE1-NE1 3.49Å; N169-W171 PolarHBondContact O-N 3.13Å; N169-W171 VanDerWaalsContact O-N 3.14Å; N169-W171 WeakPolarHBondContact OD1-CB 3.42Å; N169-W171 PolarHBondContact OD1-N 3.26Å; N169-W171 VanDerWaalsContact OD1-N 3.11Å; W171-P212 WeakPolarHBondContact O-CD 3.39Å
172E96.3Very high95Very high29 Ų2955.3 Ų55.314%0.13628%0.277CS..  trans-113.3147.4178.367-172.5-168.100112.1R142 N169 Y209 E210 V211R142-E172 IonicContact CZ-OE1 3.21Å; R142-E172 IonicContact CZ-OE2 2.78Å; R142-E172 VanDerWaalsContact NE-CD 3.33Å; R142-E172 IonicContact NE-OE1 3.1Å; R142-E172 PolarHBondContact NE-OE1 3.07Å; R142-E172 IonicContact NE-OE2 2.7Å; R142-E172 PolarHBondContact NE-OE2 3.18Å; R142-E172 IonicContact NH2-OE1 3.55Å; R142-E172 PolarHBondContact NH2-OE1 3.06Å; R142-E172 IonicContact NH2-OE2 3.98Å; N169-E172 HydrophobicContact CB-CG 4.01Å; N169-E172 PolarHBondContact ND2-OE2 3.28Å; E172-Y209 HydrophobicContact CB-CD1 4.34Å; E172-Y209 HydrophobicContact CG-CD1 3.98Å; E172-E210 CarbonylContact C-O 3.46Å; E172-E210 VanDerWaalsContact CA-O 3.31Å; E172-E210 WeakPolarHBondContact CA-O 3.4Å; E172-V211 HydrophobicContact CB-CG2 4.07Å
173K96.4Very high95.2Very high100 Ų10056.4 Ų56.444%0.43528%0.281SS..EExtended strand (participates in β ladder)trans-121117.4172.4177.157.1-177.3167.60109.7W42 W49 Y209 E210W42-K173 HydrophobicContact CH2-CB 4.41Å; W42-K173 HydrophobicContact CZ2-CB 4.35Å; W49-K173 HydrophobicContact CH2-CB 4.41Å; W49-K173 HydrophobicContact CZ3-CB 4.42Å; K173-Y209 WeakPolarHBondContact O-CA 3.3Å; K173-E210 PolarHBondContact N-O 3.25Å; K173-E210 PolarHBondContact O-N 3.44Å
174E97Very high95.5Very high78 Ų7851 Ų5136%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-67.9138.4170.6-164.8-178.3141.400111.1L207 Y209E174-L207 HydrophobicContact CG-CD1 4.03Å; E174-L207 HydrophobicContact CG-CD2 4.13Å; E174-L207 HydrophobicContact CG-CG 4.17Å; E174-Y209 HydrophobicContact CB-CD1 4.01Å; E174-Y209 HydrophobicContact CB-CE1 3.61Å; E174-Y209 VanDerWaalsContact CD-OH 3.32Å; E174-Y209 HydrophobicContact CG-CD1 4.37Å; E174-Y209 HydrophobicContact CG-CE1 3.78Å; E174-Y209 HydrophobicContact CG-CE2 4.17Å; E174-Y209 PolarHBondContact OE2-OH 2.73Å
175R96.9Very high95.6Very high73 Ų7352.9 Ų52.928%0.27526%0.263SS..  trans-125.967.3-178.9-66.1-65.3-173.1177.12.7111.2E177 S178 P208 E210R175-E177 WeakPolarHBondContact CA-OE2 3.5Å; R175-E177 WeakPolarHBondContact CD-OE1 3.31Å; R175-E177 IonicContact NH1-OE1 3.97Å; R175-E177 PolarHBondContact NH1-OE1 2.95Å; R175-E177 PolarHBondContact O-N 3.33Å; R175-E177 VanDerWaalsContact O-N 3.12Å; R175-S178 PolarHBondContact O-N 2.74Å; R175-P208 HydrophobicContact CB-CB 4.47Å; R175-P208 HydrophobicContact CB-CG 4Å; R175-P208 PolarHBondContact N-O 2.61Å; R175-P208 WeakPolarHBondContact O-CG 3.34Å; R175-E210 HydrophobicContact CG-CG 3.9Å; R175-E210 WeakPolarHBondContact CG-OE2 3.35Å; R175-E210 IonicContact CZ-OE2 3.73Å; R175-E210 IonicContact NE-OE2 3.34Å; R175-E210 PolarHBondContact NE-OE2 3.43Å; R175-E210 IonicContact NH2-OE2 3.69Å
176P95.7Very high95.7Very high71 Ų7153 Ų5346%0.46127%0.272SS..G310 helixtrans-57.2-29.6-176.625.9-35.5000113.2S178 T179 L207P176-S178 PolarHBondContact O-N 3.02Å; P176-T179 WeakPolarHBondContact O-CB 3.28Å; P176-T179 PolarHBondContact O-N 2.99Å; P176-T179 PolarHBondContact O-OG1 3.06Å; P176-L207 HydrophobicContact CB-CD1 4.2Å
177E95.3Very high95.9Very high128 Ų12854.4 Ų54.460%0.59827%0.27SS*.G310 helixtrans-60.2-22.1175.468.4-86.2-156.700113.9R175R175-E177 WeakPolarHBondContact CA-OE2 3.5Å; R175-E177 WeakPolarHBondContact CD-OE1 3.31Å; R175-E177 IonicContact NH1-OE1 3.97Å; R175-E177 PolarHBondContact NH1-OE1 2.95Å; R175-E177 PolarHBondContact O-N 3.33Å; R175-E177 VanDerWaalsContact O-N 3.12Å
178S96Very high96.2Very high20 Ų2048.5 Ų48.514%0.1425%0.25CC..G310 helixtrans-103.317.1-178.9-59.30000113.2R175 P176 R180R175-S178 PolarHBondContact O-N 2.74Å; P176-S178 PolarHBondContact O-N 3.02Å; S178-R180 PolarHBondContact O-N 3.22Å
179T97.3Very high96.4Very high51 Ų5149.6 Ų49.631%0.31325%0.245SC..  trans-60.7133.7-179.8-60.40000111.3P176 C205 A206P176-T179 WeakPolarHBondContact O-CB 3.28Å; P176-T179 PolarHBondContact O-N 2.99Å; P176-T179 PolarHBondContact O-OG1 3.06Å; T179-C205 HydrophobicContact CG2-CB 3.97Å; T179-A206 WeakPolarHBondContact CA-O 3.47Å
180R96.8Very high96.4Very high34 Ų3454.1 Ų54.113%0.12826%0.26CS..EExtended strand (participates in β ladder)trans-111.5161175.8-54.3-57176.4-159.9-1.9111.6S178 C205 A206 W227 A285 Q288 D289 Y292S178-R180 PolarHBondContact O-N 3.22Å; R180-C205 CarbonylContact O-C 3.55Å; R180-C205 WeakPolarHBondContact O-CA 3.41Å; R180-A206 HydrophobicContact CB-CB 4.36Å; R180-A206 PolarHBondContact N-O 3.21Å; R180-A206 PolarHBondContact O-N 2.78Å; R180-W227 HydrophobicContact CG-CH2 4.03Å; R180-W227 HydrophobicContact CG-CZ3 4.17Å; R180-A285 HydrophobicContact CB-CB 4.49Å; R180-Q288 HydrophobicContact CG-CB 4.23Å; R180-D289 IonicContact CZ-OD1 2.85Å; R180-D289 IonicContact NE-OD1 3.95Å; R180-D289 IonicContact NH2-OD1 3.93Å; R180-D289 PolarHBondContact NH2-OD1 3.29Å; R180-Y292 VanDerWaalsContact NH2-CG 3.28Å
181I96.1Very high96.1Very high54 Ų5456.2 Ų56.228%0.27727%0.27SS..EExtended strand (participates in β ladder)trans-110.7123.8177.3-57.5-60.4000108.7T203 Q288I181-T203 HydrophobicContact CG2-CG2 4.2Å; I181-Q288 PolarHBondContact O-NE2 3.33Å; I181-Q288 PolarHBondContact O-OE1 2.88Å
182V97.2Very high95.7Very high0 Ų064.3 Ų64.30%031%0.308CS..EExtended strand (participates in β ladder)trans-108.7138.6176.1-178.50000109F184 T203 I204 A206 Y280 F281 A285V182-F184 HydrophobicContact CB-CE2 4.43Å; V182-F184 HydrophobicContact CG1-CD2 4.44Å; V182-F184 HydrophobicContact CG1-CE2 3.69Å; V182-F184 HydrophobicContact CG1-CZ 3.81Å; V182-T203 WeakPolarHBondContact O-CA 3.43Å; V182-I204 PolarHBondContact N-O 3.04Å; V182-I204 PolarHBondContact O-N 3.21Å; V182-A206 HydrophobicContact CG2-CB 4.2Å; V182-Y280 HydrophobicContact CG1-CD1 3.94Å; V182-Y280 HydrophobicContact CG1-CE1 3.8Å; V182-F281 HydrophobicContact CB-CD2 4.09Å; V182-F281 HydrophobicContact CG1-CD2 4.29Å; V182-F281 HydrophobicContact CG2-CD2 3.85Å; V182-F281 HydrophobicContact CG2-CE2 4.17Å; V182-A285 HydrophobicContact CG2-CB 4.1Å
183Q95.9Very high95.2Very high54 Ų5468.4 Ų68.425%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-108.4146.2-176.9-71176.6-25.900111.4W198 T201 E202 T203 Y280Q183-W198 HydrophobicContact CB-CE3 4.1Å; Q183-W198 HydrophobicContact CB-CH2 3.93Å; Q183-W198 HydrophobicContact CB-CZ3 3.66Å; Q183-W198 WeakPolarHBondContact O-CH2 3.42Å; Q183-T201 HydrophobicContact CB-CG2 4.03Å; Q183-T201 HydrophobicContact CG-CG2 4.41Å; Q183-E202 CarbonylContact C-O 3.55Å; Q183-E202 VanDerWaalsContact CA-O 3.29Å; Q183-E202 WeakPolarHBondContact CA-O 3.12Å; Q183-T203 HydrophobicContact CG-CG2 4.32Å; Q183-Y280 WeakPolarHBondContact O-CE1 3.44Å
184F95.9Very high94.5Very high0 Ų068.6 Ų68.60%034%0.336CS..EExtended strand (participates in β ladder)trans-136.8158.3173.2-66.2-78.8000110.8V182 T201 E202 I204 I258 K277 Y280 F281 V372 L373V182-F184 HydrophobicContact CB-CE2 4.43Å; V182-F184 HydrophobicContact CG1-CD2 4.44Å; V182-F184 HydrophobicContact CG1-CE2 3.69Å; V182-F184 HydrophobicContact CG1-CZ 3.81Å; F184-T201 CarbonylContact O-C 3.55Å; F184-T201 VanDerWaalsContact O-CA 3.25Å; F184-T201 WeakPolarHBondContact O-CA 3.5Å; F184-T201 WeakPolarHBondContact O-CB 3.29Å; F184-E202 HydrophobicContact CB-CB 4.47Å; F184-E202 PolarHBondContact N-O 2.96Å; F184-E202 PolarHBondContact O-N 3.35Å; F184-I204 HydrophobicContact CD2-CD1 3.86Å; F184-I204 HydrophobicContact CD2-CG1 4.27Å; F184-I204 HydrophobicContact CE2-CB 4.45Å; F184-I204 HydrophobicContact CE2-CD1 3.75Å; F184-I204 HydrophobicContact CE2-CG1 4.3Å; F184-I258 HydrophobicContact CE2-CD1 3.76Å; F184-I258 HydrophobicContact CZ-CD1 3.87Å; F184-K277 HydrophobicContact CD1-CG 3.96Å; F184-K277 HydrophobicContact CE1-CB 3.84Å; F184-K277 HydrophobicContact CE1-CG 3.75Å; F184-K277 HydrophobicContact CZ-CB 4.11Å; F184-K277 HydrophobicContact CZ-CG 4.35Å; F184-Y280 HydrophobicContact CD1-CD1 4.06Å; F184-Y280 AromaticContact CE1-CD1 3.54Å; F184-Y280 HydrophobicContact CE1-CD1 3.54Å; F184-Y280 HydrophobicContact CE1-CG 4.28Å; F184-Y280 HydrophobicContact CZ-CD1 4.01Å; F184-F281 HydrophobicContact CZ-CB 4.17Å; F184-V372 HydrophobicContact CD1-CG1 3.89Å; F184-L373 HydrophobicContact CD1-CD2 4.47Å
185Y96.7Very high94.1Very high53 Ų5369.2 Ų69.221%0.20834%0.339CS..SBendtrans60.2-136.2176.1-51.7-69000113.2W198 E202 E273 K277 R371 V372Y185-W198 VanDerWaalsContact O-CE2 3.25Å; Y185-W198 WeakPolarHBondContact O-CZ2 3.42Å; Y185-W198 PolarHBondContact O-NE1 3.45Å; Y185-E202 HydrophobicContact CD2-CB 4.11Å; Y185-E202 VanDerWaalsContact CE2-OE2 3.27Å; Y185-E202 WeakPolarHBondContact CE2-OE2 3.2Å; Y185-E273 VanDerWaalsContact CE1-OE1 3.24Å; Y185-E273 WeakPolarHBondContact CE1-OE1 3.48Å; Y185-E273 VanDerWaalsContact CZ-OE1 3.28Å; Y185-E273 PolarHBondContact OH-OE1 3.13Å; Y185-K277 WeakPolarHBondContact OH-CE 3.4Å; Y185-K277 PolarHBondContact OH-NZ 3.18Å; Y185-R371 HydrophobicContact CD1-CG 4.37Å; Y185-R371 WeakPolarHBondContact CD1-O 3.42Å; Y185-V372 WeakPolarHBondContact CA-O 3.49Å; Y185-V372 HydrophobicContact CD1-CG2 4.43Å; Y185-V372 HydrophobicContact CE1-CG2 3.93Å; Y185-V372 PolarHBondContact N-O 3.45Å
186G96.4Very high94Very high31 Ų3166.1 Ų66.132%0.3233%0.329SS..  trans69.2-154.4179.800000113.7I199 D200G186-I199 CarbonylContact C-O 3.53Å; G186-I199 VanDerWaalsContact CA-O 3.26Å; G186-I199 WeakPolarHBondContact CA-O 3.37Å; G186-D200 WeakPolarHBondContact CA-O 3.42Å
187R97.5Very high93.9Very high128 Ų12869 Ų6948%0.48333%0.333SS..EExtended strand (participates in β ladder)trans-151.4159.5-176.363.2-176.3175.3101.16.3112.1I189 I199 D200R187-I189 VanDerWaalsContact NH1-CG2 3.26Å; R187-I199 HydrophobicContact CG-CG1 4.11Å; R187-I199 PolarHBondContact N-O 3.38Å; R187-I199 PolarHBondContact O-N 3.36Å; R187-D200 IonicContact CZ-OD2 3.97Å; R187-D200 IonicContact NE-OD2 3Å; R187-D200 PolarHBondContact NE-OD2 3.27Å; R187-D200 IonicContact NH2-OD2 3.77Å; R187-D200 PolarHBondContact NH2-OD2 3.25Å
188V97.5Very high94Very high30 Ų3063.8 Ų63.818%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-93.2131.9174.8-1740000109.4C196 K197 P374 R375V188-C196 HydrophobicContact CG1-CB 3.94Å; V188-K197 WeakPolarHBondContact CA-O 3.43Å; V188-P374 HydrophobicContact CG2-CB 4.31Å; V188-R375 HydrophobicContact CG2-CB 3.77Å; V188-R375 HydrophobicContact CG2-CG 4.44Å
189I96.6Very high94Very high65 Ų6564.9 Ų64.933%0.33331%0.312SS..EExtended strand (participates in β ladder)trans-113.9146.8165.557.9163.6000109.5R187 C196 K197 I199R187-I189 VanDerWaalsContact NH1-CG2 3.26Å; I189-C196 CarbonylContact O-C 3.33Å; I189-C196 WeakPolarHBondContact O-CA 3.43Å; I189-K197 HydrophobicContact CD1-CB 4.33Å; I189-K197 HydrophobicContact CG1-CB 3.91Å; I189-K197 PolarHBondContact N-O 3.42Å; I189-K197 PolarHBondContact O-N 3Å; I189-I199 HydrophobicContact CB-CD1 4.43Å; I189-I199 HydrophobicContact CD1-CD1 3.74Å; I189-I199 HydrophobicContact CD1-CG1 4.37Å; I189-I199 HydrophobicContact CD1-CG2 4.2Å; I189-I199 HydrophobicContact CG1-CD1 3.94Å; I189-I199 HydrophobicContact CG1-CG1 4.13Å; I189-I199 HydrophobicContact CG1-CG2 4.25Å; I189-I199 HydrophobicContact CG2-CD1 3.65Å; I189-I199 HydrophobicContact CG2-CG1 4.1Å
190R94.4Very high93.9Very high123 Ų12367.7 Ų67.746%0.46433%0.325SS..EExtended strand (participates in β ladder)trans-114137.1175.5-70176.9178.7-131.10.8109.7D194 Q195 E378R190-D194 WeakPolarHBondContact CD-OD1 3.46Å; R190-D194 IonicContact CZ-OD1 3.76Å; R190-D194 IonicContact NE-OD1 2.72Å; R190-D194 IonicContact NH1-OD1 3.98Å; R190-D194 PolarHBondContact NH1-OD1 3.15Å; R190-D194 IonicContact NH1-OD2 2.74Å; R190-D194 PolarHBondContact NH1-OD2 3.45Å; R190-Q195 WeakPolarHBondContact CA-O 3.32Å; R190-E378 IonicContact CZ-OE2 3.6Å; R190-E378 IonicContact NE-OE2 2.69Å; R190-E378 IonicContact NH2-OE2 3.3Å; R190-E378 PolarHBondContact NH2-OE2 3.44Å
191N90Very high93.8Very high56 Ų5667.4 Ų67.430%0.29933%0.328SS..  trans-88.4-178.817174.48.8000111.1L193 D194 Q195N191-L193 PolarHBondContact O-N 3.26Å; N191-L193 WeakPolarHBondContact OD1-CA 3.32Å; N191-L193 WeakPolarHBondContact OD1-CB 3.44Å; N191-L193 PolarHBondContact OD1-N 2.89Å; N191-D194 PolarHBondContact O-N 2.93Å; N191-D194 VanDerWaalsContact O-N 3.13Å; N191-D194 PolarHBondContact OD1-N 3.43Å; N191-Q195 PolarHBondContact N-O 3.4Å; N191-Q195 PolarHBondContact ND2-OE1 3.31Å; N191-Q195 WeakPolarHBondContact OD1-CB 3.49Å; N191-Q195 PolarHBondContact OD1-N 3.18Å
192H88Confident93.5Very high173 Ų17368.1 Ų68.180%0.80133%0.33SS*.THydrogen-bonded Turntrans-68.2-12-179.956.1-85000114.2
193L84.6Confident93.2Very high115 Ų11570.1 Ų70.160%0.60234%0.342SS*.THydrogen-bonded Turntrans-10014.2175-57.1176.3000111.9N191 Q195N191-L193 PolarHBondContact O-N 3.26Å; N191-L193 WeakPolarHBondContact OD1-CA 3.32Å; N191-L193 WeakPolarHBondContact OD1-CB 3.44Å; N191-L193 PolarHBondContact OD1-N 2.89Å; L193-Q195 HydrophobicContact CB-CG 4.19Å; L193-Q195 PolarHBondContact O-N 3.49Å; L193-Q195 VanDerWaalsContact O-N 3.12Å
194D82.9Confident93.1Very high104 Ų10467.6 Ų67.656%0.55633%0.33SS*.  trans58.416.7-173.9-156.936.9000114.9R190 N191 C196R190-D194 WeakPolarHBondContact CD-OD1 3.46Å; R190-D194 IonicContact CZ-OD1 3.76Å; R190-D194 IonicContact NE-OD1 2.72Å; R190-D194 IonicContact NH1-OD1 3.98Å; R190-D194 PolarHBondContact NH1-OD1 3.15Å; R190-D194 IonicContact NH1-OD2 2.74Å; R190-D194 PolarHBondContact NH1-OD2 3.45Å; N191-D194 PolarHBondContact O-N 2.93Å; N191-D194 VanDerWaalsContact O-N 3.13Å; N191-D194 PolarHBondContact OD1-N 3.43Å; D194-C196 PolarHBondContact O-N 2.88Å
195Q88.2Confident93Very high90 Ų9068.6 Ų68.642%0.42134%0.337SS..  trans-75.5129.8172.9-57.6173.8-41.300109.5R190 N191 L193R190-Q195 WeakPolarHBondContact CA-O 3.32Å; N191-Q195 PolarHBondContact N-O 3.4Å; N191-Q195 PolarHBondContact ND2-OE1 3.31Å; N191-Q195 WeakPolarHBondContact OD1-CB 3.49Å; N191-Q195 PolarHBondContact OD1-N 3.18Å; L193-Q195 HydrophobicContact CB-CG 4.19Å; L193-Q195 PolarHBondContact O-N 3.49Å; L193-Q195 VanDerWaalsContact O-N 3.12Å
196C94.2Very high93.1Very high9 Ų966.1 Ų66.16%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-89.3140.1-179.7-66.50000110.9V188 I189 D194V188-C196 HydrophobicContact CG1-CB 3.94Å; I189-C196 CarbonylContact O-C 3.33Å; I189-C196 WeakPolarHBondContact O-CA 3.43Å; D194-C196 PolarHBondContact O-N 2.88Å
197K94.8Very high93.1Very high130 Ų13065.4 Ų65.457%0.56532%0.316SS*.EExtended strand (participates in β ladder)trans-126.2133165.3-66.7-173.5177.5-176.20109.9V188 I189 I199V188-K197 WeakPolarHBondContact CA-O 3.43Å; I189-K197 HydrophobicContact CD1-CB 4.33Å; I189-K197 HydrophobicContact CG1-CB 3.91Å; I189-K197 PolarHBondContact N-O 3.42Å; I189-K197 PolarHBondContact O-N 3Å; K197-I199 HydrophobicContact CB-CG2 4.09Å
198W97Very high93.2Very high19 Ų1959.3 Ų59.37%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-90.9114.5172.8-169.321.2000109.3Q183 Y185 T201 Y280 L373 R375 H376Q183-W198 HydrophobicContact CB-CE3 4.1Å; Q183-W198 HydrophobicContact CB-CH2 3.93Å; Q183-W198 HydrophobicContact CB-CZ3 3.66Å; Q183-W198 WeakPolarHBondContact O-CH2 3.42Å; Y185-W198 VanDerWaalsContact O-CE2 3.25Å; Y185-W198 WeakPolarHBondContact O-CZ2 3.42Å; Y185-W198 PolarHBondContact O-NE1 3.45Å; W198-T201 HydrophobicContact CD2-CG2 3.83Å; W198-T201 HydrophobicContact CG-CG2 3.94Å; W198-T201 HydrophobicContact CZ2-CG2 4.18Å; W198-Y280 HydrophobicContact CH2-CE1 4.11Å; W198-Y280 HydrophobicContact CZ3-CE1 4.28Å; W198-Y280 WeakPolarHBondContact CZ3-OH 3.49Å; W198-L373 HydrophobicContact CH2-CD2 3.87Å; W198-L373 HydrophobicContact CZ2-CD2 4.36Å; W198-R375 HydrophobicContact CB-CB 4.35Å; W198-R375 HydrophobicContact CD2-CB 4.4Å; W198-R375 HydrophobicContact CG-CB 4.21Å; W198-H376 AromaticContact CZ3-CE1 3.72Å
199I96.3Very high93.2Very high43 Ų4359.1 Ų59.122%0.22129%0.289CS..EExtended strand (participates in β ladder)trans-131.1173.3-171.265.1161.3000111.6G186 R187 I189 K197 T201G186-I199 CarbonylContact C-O 3.53Å; G186-I199 VanDerWaalsContact CA-O 3.26Å; G186-I199 WeakPolarHBondContact CA-O 3.37Å; R187-I199 HydrophobicContact CG-CG1 4.11Å; R187-I199 PolarHBondContact N-O 3.38Å; R187-I199 PolarHBondContact O-N 3.36Å; I189-I199 HydrophobicContact CB-CD1 4.43Å; I189-I199 HydrophobicContact CD1-CD1 3.74Å; I189-I199 HydrophobicContact CD1-CG1 4.37Å; I189-I199 HydrophobicContact CD1-CG2 4.2Å; I189-I199 HydrophobicContact CG1-CD1 3.94Å; I189-I199 HydrophobicContact CG1-CG1 4.13Å; I189-I199 HydrophobicContact CG1-CG2 4.25Å; I189-I199 HydrophobicContact CG2-CD1 3.65Å; I189-I199 HydrophobicContact CG2-CG1 4.1Å; K197-I199 HydrophobicContact CB-CG2 4.09Å; I199-T201 PolarHBondContact O-N 3.08Å
200D94.9Very high93.3Very high110 Ų11056.4 Ų56.459%0.58828%0.275SS*.SBendtrans56.832.7-180-54.4-24.9000112.8G186 R187G186-D200 WeakPolarHBondContact CA-O 3.42Å; R187-D200 IonicContact CZ-OD2 3.97Å; R187-D200 IonicContact NE-OD2 3Å; R187-D200 PolarHBondContact NE-OD2 3.27Å; R187-D200 IonicContact NH2-OD2 3.77Å; R187-D200 PolarHBondContact NH2-OD2 3.25Å
201T93.9Very high93.4Very high29 Ų2951 Ų5118%0.17826%0.256CS..  trans-85.9149.1-176.160.90000112.3Q183 F184 W198 I199Q183-T201 HydrophobicContact CB-CG2 4.03Å; Q183-T201 HydrophobicContact CG-CG2 4.41Å; F184-T201 CarbonylContact O-C 3.55Å; F184-T201 VanDerWaalsContact O-CA 3.25Å; F184-T201 WeakPolarHBondContact O-CA 3.5Å; F184-T201 WeakPolarHBondContact O-CB 3.29Å; W198-T201 HydrophobicContact CD2-CG2 3.83Å; W198-T201 HydrophobicContact CG-CG2 3.94Å; W198-T201 HydrophobicContact CZ2-CG2 4.18Å; I199-T201 PolarHBondContact O-N 3.08Å
202E91.2Very high93.8Very high68 Ų6848.5 Ų48.532%0.31824%0.243SC..EExtended strand (participates in β ladder)trans-72.4139.3160.3-171.3-172.8153.400109.7Q183 F184 Y185Q183-E202 CarbonylContact C-O 3.55Å; Q183-E202 VanDerWaalsContact CA-O 3.29Å; Q183-E202 WeakPolarHBondContact CA-O 3.12Å; F184-E202 HydrophobicContact CB-CB 4.47Å; F184-E202 PolarHBondContact N-O 2.96Å; F184-E202 PolarHBondContact O-N 3.35Å; Y185-E202 HydrophobicContact CD2-CB 4.11Å; Y185-E202 VanDerWaalsContact CE2-OE2 3.27Å; Y185-E202 WeakPolarHBondContact CE2-OE2 3.2Å
203T90.5Very high94.3Very high42 Ų4240.8 Ų40.826%0.25821%0.207SC..EExtended strand (participates in β ladder)trans-118.9131.1-178.564.10000112.5I181 V182 Q183 R232I181-T203 HydrophobicContact CG2-CG2 4.2Å; V182-T203 WeakPolarHBondContact O-CA 3.43Å; Q183-T203 HydrophobicContact CG-CG2 4.32Å; T203-R232 VanDerWaalsContact OG1-CD 3.28Å; T203-R232 WeakPolarHBondContact OG1-CD 3.32Å
204I93Very high94.9Very high1 Ų135.5 Ų35.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-121.6139177.9-60.9-177.3000108.8V182 F184 A229 A255 I258 F281V182-I204 PolarHBondContact N-O 3.04Å; V182-I204 PolarHBondContact O-N 3.21Å; F184-I204 HydrophobicContact CD2-CD1 3.86Å; F184-I204 HydrophobicContact CD2-CG1 4.27Å; F184-I204 HydrophobicContact CE2-CB 4.45Å; F184-I204 HydrophobicContact CE2-CD1 3.75Å; F184-I204 HydrophobicContact CE2-CG1 4.3Å; I204-A229 HydrophobicContact CG2-CB 4.01Å; I204-A255 HydrophobicContact CD1-CB 3.77Å; I204-A255 HydrophobicContact CG1-CB 3.87Å; I204-A255 HydrophobicContact CG2-CB 4.33Å; I204-I258 HydrophobicContact CD1-CD1 3.4Å; I204-F281 HydrophobicContact CG2-CD2 4.45Å; I204-F281 HydrophobicContact CG2-CE2 4.02Å
205C95.1Very high95.5Very high22 Ų2230.6 Ų30.615%0.14915%0.154CC..EExtended strand (participates in β ladder)trans-83.9132.4174.1-64.90000109.8T179 R180 A229 K230T179-C205 HydrophobicContact CG2-CB 3.97Å; R180-C205 CarbonylContact O-C 3.55Å; R180-C205 WeakPolarHBondContact O-CA 3.41Å; C205-A229 WeakPolarHBondContact O-CA 3.48Å; C205-K230 HydrophobicContact CB-CB 4.21Å; C205-K230 WeakPolarHBondContact CB-O 3.33Å; C205-K230 PolarHBondContact N-O 2.69Å; C205-K230 PolarHBondContact O-N 3.23Å
206A97.8Very high95.9Very high0 Ų026.5 Ų26.50%013%0.134CC..EExtended strand (participates in β ladder)trans-101.8103.3170.200000109.3T179 R180 V182 W227 F281 A285T179-A206 WeakPolarHBondContact CA-O 3.47Å; R180-A206 HydrophobicContact CB-CB 4.36Å; R180-A206 PolarHBondContact N-O 3.21Å; R180-A206 PolarHBondContact O-N 2.78Å; V182-A206 HydrophobicContact CG2-CB 4.2Å; A206-W227 HydrophobicContact CB-CD2 4.35Å; A206-W227 HydrophobicContact CB-CE3 3.79Å; A206-W227 HydrophobicContact CB-CZ3 4.38Å; A206-F281 HydrophobicContact CB-CE1 4.47Å; A206-F281 HydrophobicContact CB-CE2 3.56Å; A206-F281 HydrophobicContact CB-CZ 3.53Å; A206-A285 HydrophobicContact CB-CB 3.48Å; A206-A285 VanDerWaalsContact CB-CB 3.48Å
207L97.4Very high95.8Very high17 Ų1730.2 Ų30.29%0.08915%0.147CC..EExtended strand (participates in β ladder)trans-91.9118.3-179.9177.264000109.6E174 P176 Y209 A228 K230E174-L207 HydrophobicContact CG-CD1 4.03Å; E174-L207 HydrophobicContact CG-CD2 4.13Å; E174-L207 HydrophobicContact CG-CG 4.17Å; P176-L207 HydrophobicContact CB-CD1 4.2Å; L207-Y209 HydrophobicContact CD2-CE2 3.77Å; L207-Y209 HydrophobicContact CG-CE2 3.92Å; L207-A228 HydrophobicContact CB-CB 4.48Å; L207-A228 PolarHBondContact N-O 2.92Å; L207-A228 PolarHBondContact O-N 2.69Å; L207-K230 HydrophobicContact CB-CG 4.28Å; L207-K230 HydrophobicContact CD2-CG 4.25Å
208P98.3Very high95.7Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-81.8136.1-179.222.4-20.6000112.8R175 R225 W227R175-P208 HydrophobicContact CB-CB 4.47Å; R175-P208 HydrophobicContact CB-CG 4Å; R175-P208 PolarHBondContact N-O 2.61Å; R175-P208 WeakPolarHBondContact O-CG 3.34Å; P208-R225 HydrophobicContact CB-CG 3.92Å; P208-W227 HydrophobicContact CB-CE3 3.8Å; P208-W227 HydrophobicContact CB-CH2 4.05Å; P208-W227 HydrophobicContact CB-CZ3 3.48Å; P208-W227 VanDerWaalsContact CB-CZ3 3.48Å; P208-W227 HydrophobicContact CG-CE3 4.22Å; P208-W227 HydrophobicContact CG-CH2 4.2Å; P208-W227 HydrophobicContact CG-CZ3 3.55Å
209Y98.5Very high95.5Very high25 Ų2525.8 Ų25.810%0.09813%0.131CC..EExtended strand (participates in β ladder)trans-115.5131165.2-74-99.4000109E172 K173 E174 L207 L226 A228E172-Y209 HydrophobicContact CB-CD1 4.34Å; E172-Y209 HydrophobicContact CG-CD1 3.98Å; K173-Y209 WeakPolarHBondContact O-CA 3.3Å; E174-Y209 HydrophobicContact CB-CD1 4.01Å; E174-Y209 HydrophobicContact CB-CE1 3.61Å; E174-Y209 VanDerWaalsContact CD-OH 3.32Å; E174-Y209 HydrophobicContact CG-CD1 4.37Å; E174-Y209 HydrophobicContact CG-CE1 3.78Å; E174-Y209 HydrophobicContact CG-CE2 4.17Å; E174-Y209 PolarHBondContact OE2-OH 2.73Å; L207-Y209 HydrophobicContact CD2-CE2 3.77Å; L207-Y209 HydrophobicContact CG-CE2 3.92Å; Y209-L226 PolarHBondContact N-O 2.89Å; Y209-L226 PolarHBondContact O-N 3.17Å; Y209-A228 HydrophobicContact CD2-CB 4.01Å; Y209-A228 HydrophobicContact CE2-CB 3.82Å
210E98.2Very high95.5Very high8 Ų824 Ų244%0.03712%0.121CC..EExtended strand (participates in β ladder)trans-109.4133.8-177.5-65.1-174137.300111.6W49 E172 K173 R175 T223 L224 R225W49-E210 HydrophobicContact CH2-CB 3.54Å; W49-E210 HydrophobicContact CH2-CG 4.41Å; W49-E210 VanDerWaalsContact CH2-OE2 3.24Å; W49-E210 WeakPolarHBondContact CH2-OE2 3.03Å; W49-E210 HydrophobicContact CZ2-CB 3.7Å; W49-E210 HydrophobicContact CZ2-CG 4.36Å; W49-E210 WeakPolarHBondContact CZ2-OE2 3.1Å; E172-E210 CarbonylContact C-O 3.46Å; E172-E210 VanDerWaalsContact CA-O 3.31Å; E172-E210 WeakPolarHBondContact CA-O 3.4Å; K173-E210 PolarHBondContact N-O 3.25Å; K173-E210 PolarHBondContact O-N 3.44Å; R175-E210 HydrophobicContact CG-CG 3.9Å; R175-E210 WeakPolarHBondContact CG-OE2 3.35Å; R175-E210 IonicContact CZ-OE2 3.73Å; R175-E210 IonicContact NE-OE2 3.34Å; R175-E210 PolarHBondContact NE-OE2 3.43Å; R175-E210 IonicContact NH2-OE2 3.69Å; E210-T223 HydrophobicContact CB-CG2 3.99Å; E210-T223 HydrophobicContact CG-CG2 3.94Å; E210-L224 WeakPolarHBondContact CA-O 3.42Å; E210-R225 HydrophobicContact CG-CG 4.48Å; E210-R225 IonicContact OE1-CZ 3.84Å; E210-R225 VanDerWaalsContact OE1-CZ 3.32Å; E210-R225 IonicContact OE1-NE 2.89Å; E210-R225 PolarHBondContact OE1-NE 3.39Å; E210-R225 IonicContact OE1-NH2 3.63Å; E210-R225 PolarHBondContact OE1-NH2 2.73Å
211V97.7Very high95.6Very high10 Ų1018.7 Ų18.76%0.0619%0.093CC..EExtended strand (participates in β ladder)trans-116.8122.6173.9-179.10000108.6E172 I213 L224 L226E172-V211 HydrophobicContact CB-CG2 4.07Å; V211-I213 HydrophobicContact CG1-CD1 4.45Å; V211-L224 HydrophobicContact CB-CB 4.29Å; V211-L224 PolarHBondContact N-O 3.29Å; V211-L224 PolarHBondContact O-N 3.48Å; V211-L226 HydrophobicContact CG2-CD1 4.21Å
212P97.4Very high95.8Very high4 Ų417.5 Ų17.53%0.0269%0.086CC..EExtended strand (participates in β ladder)trans-71.2137.1178.428.4-33.3000111.1W42 L45 W49 W171 P214 C221W42-P212 HydrophobicContact CE3-CG 4.07Å; W42-P212 VanDerWaalsContact CH2-CD 3.49Å; W42-P212 HydrophobicContact CH2-CG 3.71Å; W42-P212 HydrophobicContact CZ3-CG 3.36Å; L45-P212 HydrophobicContact CD1-CB 4.5Å; L45-P212 HydrophobicContact CD1-CG 3.98Å; W49-P212 HydrophobicContact CD2-CB 4.11Å; W49-P212 HydrophobicContact CE3-CB 4.31Å; W49-P212 HydrophobicContact CG-CB 4.31Å; W171-P212 WeakPolarHBondContact O-CD 3.39Å; P212-P214 WeakPolarHBondContact O-CD 3.46Å; P212-C221 VanDerWaalsContact CB-SG 3.53Å
213I97.9Very high96.1Very high10 Ų1014.3 Ų14.35%0.0517%0.071CC..EExtended strand (participates in β ladder)trans-11694.3178.9-51.8-58.9000108.9M73 L126 A130 V211 C221 N222 L224M73-I213 HydrophobicContact CE-CD1 3.59Å; L126-I213 HydrophobicContact CB-CG2 4.05Å; L126-I213 HydrophobicContact CD1-CD1 4.33Å; L126-I213 HydrophobicContact CD1-CG1 4.36Å; A130-I213 HydrophobicContact CB-CG2 4.09Å; A130-I213 VanDerWaalsContact CB-O 3.32Å; A130-I213 WeakPolarHBondContact CB-O 3.5Å; V211-I213 HydrophobicContact CG1-CD1 4.45Å; I213-C221 CarbonylContact O-C 3.58Å; I213-C221 WeakPolarHBondContact O-CA 3.44Å; I213-N222 HydrophobicContact CB-CB 4.31Å; I213-N222 PolarHBondContact N-O 3.31Å; I213-N222 PolarHBondContact O-N 3.11Å; I213-L224 HydrophobicContact CD1-CB 3.93Å; I213-L224 HydrophobicContact CG1-CB 4.03Å
214P97Very high96.5Very high5 Ų512.4 Ų12.43%0.0326%0.059CC..EExtended strand (participates in β ladder)trans-73.7139.1179.428.8-34.3000112.5L45 T80 N83 V84 P212L45-P214 HydrophobicContact CD2-CB 3.51Å; L45-P214 HydrophobicContact CD2-CG 3.74Å; T80-P214 HydrophobicContact CG2-CG 4.3Å; N83-P214 HydrophobicContact CB-CB 4Å; N83-P214 HydrophobicContact CB-CG 3.93Å; N83-P214 PolarHBondContact ND2-O 3.07Å; V84-P214 HydrophobicContact CG1-CB 4.22Å; P212-P214 WeakPolarHBondContact O-CD 3.46Å
215G96.6Very high96.8Very high0 Ų012.9 Ų12.90%06%0.061CC..  trans-77.5152.2168.100000112.5A130 R217 N218 T220A130-G215 VanDerWaalsContact C-CA 3.45Å; G215-R217 PolarHBondContact O-N 3.32Å; G215-N218 WeakPolarHBondContact CA-OD1 3.28Å; G215-T220 PolarHBondContact N-O 3.34Å
216Y96.1Very high97Very high4 Ų411.9 Ų11.92%0.0165%0.054CC..THydrogen-bonded Turntrans-67.5114.2-179.8179.7-107.1000112.1L82 T131 N218 R466 L470 V490 K491L82-Y216 HydrophobicContact CD1-CE2 4.12Å; L82-Y216 HydrophobicContact CD2-CE2 4.4Å; L82-Y216 HydrophobicContact CG-CD2 4.29Å; L82-Y216 HydrophobicContact CG-CE2 3.99Å; T131-Y216 PolarHBondContact OG1-N 2.98Å; Y216-N218 PolarHBondContact O-N 2.74Å; Y216-R466 HydrophobicContact CD2-CG 3.6Å; Y216-R466 HydrophobicContact CE2-CG 4.4Å; Y216-R466 HydrophobicContact CG-CG 3.73Å; Y216-L470 HydrophobicContact CE2-CD2 3.76Å; Y216-V490 HydrophobicContact CD1-CB 4.39Å; Y216-V490 HydrophobicContact CD1-CG1 3.73Å; Y216-V490 HydrophobicContact CE1-CB 3.75Å; Y216-V490 HydrophobicContact CE1-CG1 3.37Å; Y216-V490 HydrophobicContact CE1-CG2 4.35Å; Y216-V490 HydrophobicContact CE2-CG1 4.27Å; Y216-V490 HydrophobicContact CG-CG1 4.32Å; Y216-K491 HydrophobicContact CD1-CG 4.13Å; Y216-K491 WeakPolarHBondContact O-CE 3.4Å; Y216-K491 PolarHBondContact O-NZ 3.48Å
217R92.8Very high97Very high87 Ų8711.9 Ų11.933%0.3285%0.054SC..THydrogen-bonded Turntrans45.552.3176.9-67.3-172.3169.6166.9-3.4111.6N83 D85 G215 D487 K491N83-R217 PolarHBondContact O-N 3.18Å; D85-R217 HydrophobicContact CB-CG 4.13Å; D85-R217 VanDerWaalsContact CG-NE 3.26Å; D85-R217 IonicContact OD1-CZ 2.77Å; D85-R217 IonicContact OD1-NE 3.71Å; D85-R217 PolarHBondContact OD1-NE 2.98Å; D85-R217 IonicContact OD1-NH2 2.73Å; D85-R217 PolarHBondContact OD1-NH2 2.79Å; D85-R217 IonicContact OD2-CZ 2.7Å; D85-R217 IonicContact OD2-NE 3.87Å; D85-R217 PolarHBondContact OD2-NE 3.18Å; G215-R217 PolarHBondContact O-N 3.32Å; R217-D487 IonicContact CZ-OD2 3.74Å; R217-D487 IonicContact NH1-OD2 3.67Å; R217-D487 PolarHBondContact NH1-OD2 3.48Å; R217-K491 PolarHBondContact O-NZ 2.93Å; R217-K491 VanDerWaalsContact O-NZ 3.09Å
218N92.5Very high97Very high32 Ų3211.1 Ų11.117%0.1715%0.05CC..SBendtrans-144.5178.6168.974.816.3000108.9R48 A130 T131 G215 Y216 T220R48-N218 PolarHBondContact NH1-O 3.07Å; R48-N218 VanDerWaalsContact NH1-O 3.08Å; A130-N218 PolarHBondContact O-ND2 2.92Å; T131-N218 PolarHBondContact O-ND2 3.17Å; G215-N218 WeakPolarHBondContact CA-OD1 3.28Å; Y216-N218 PolarHBondContact O-N 2.74Å; N218-T220 PolarHBondContact OD1-N 2.71Å; N218-T220 PolarHBondContact OD1-O 2.88Å
219Q93.1Very high96.9Very high25 Ų2511.1 Ų11.112%0.1175%0.05CC..SBendtrans-94-2.9179.9-61.9-59.3-39.500113.5T52 V810 E812T52-Q219 PolarHBondContact OG1-O 3.14Å; Q219-V810 HydrophobicContact CB-CB 3.78Å; Q219-V810 HydrophobicContact CB-CG1 3.69Å; Q219-V810 WeakPolarHBondContact CB-O 3.41Å; Q219-E812 VanDerWaalsContact CD-CG 3.46Å; Q219-E812 HydrophobicContact CG-CG 3.53Å; Q219-E812 PolarHBondContact NE2-OE1 3.09Å
220T95.9Very high96.6Very high4 Ų412.4 Ų12.43%0.0256%0.056CC..  trans-74.3129.8-179.8-56.50000110.2T52 A130 G215 N218T52-T220 HydrophobicContact CG2-CG2 4.27Å; A130-T220 WeakPolarHBondContact O-CB 3.41Å; G215-T220 PolarHBondContact N-O 3.34Å; N218-T220 PolarHBondContact OD1-N 2.71Å; N218-T220 PolarHBondContact OD1-O 2.88Å
221C97.1Very high95.9Very high0 Ų013 Ų130%07%0.065CC..EExtended strand (participates in β ladder)trans-135.4103.3171.2-171.90000109.1R48 W49 T52 P212 I213R48-C221 HydrophobicContact CB-CB 4.12Å; W49-C221 HydrophobicContact CB-CB 4.14Å; W49-C221 VanDerWaalsContact CD1-O 3.3Å; T52-C221 WeakPolarHBondContact CB-O 3.03Å; T52-C221 WeakPolarHBondContact CG2-O 3.28Å; T52-C221 PolarHBondContact OG1-N 3.38Å; P212-C221 VanDerWaalsContact CB-SG 3.53Å; I213-C221 CarbonylContact O-C 3.58Å; I213-C221 WeakPolarHBondContact O-CA 3.44Å
222N97.8Very high94.6Very high4 Ų418.2 Ų18.22%0.0218%0.083CC..EExtended strand (participates in β ladder)trans-80.2179.1178.9-81.2-20.5000111.2Y56 A130 L134 A136 I213Y56-N222 PolarHBondContact OH-OD1 3.18Å; A130-N222 HydrophobicContact CB-CB 4.33Å; L134-N222 PolarHBondContact O-ND2 3.11Å; A136-N222 WeakPolarHBondContact O-CB 3.42Å; A136-N222 VanDerWaalsContact O-CG 3.32Å; A136-N222 PolarHBondContact O-OD1 3.02Å; I213-N222 HydrophobicContact CB-CB 4.31Å; I213-N222 PolarHBondContact N-O 3.31Å; I213-N222 PolarHBondContact O-N 3.11Å
223T98.4Very high92.8Very high1 Ų124.8 Ų24.81%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-121.8131.1-177.1-54.20000111.1W49 Q53 Y137 G138 E210 R225W49-T223 HydrophobicContact CZ2-CG2 4.05Å; W49-T223 PolarHBondContact NE1-OG1 2.87Å; Q53-T223 PolarHBondContact NE2-OG1 3.47Å; Y137-T223 WeakPolarHBondContact CA-O 3.42Å; Y137-T223 HydrophobicContact CD1-CG2 4.06Å; Y137-T223 HydrophobicContact CE1-CG2 3.91Å; G138-T223 PolarHBondContact N-O 2.87Å; E210-T223 HydrophobicContact CB-CG2 3.99Å; E210-T223 HydrophobicContact CG-CG2 3.94Å; T223-R225 HydrophobicContact CG2-CB 4.4Å
224L98.7Very high90.5Very high1 Ų134 Ų341%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-97.6112.2157.1170.358.4000107.9F71 M73 L126 G138 E210 V211 I213 L226F71-L224 HydrophobicContact CB-CD2 4.22Å; F71-L224 HydrophobicContact CD1-CD1 4.05Å; F71-L224 HydrophobicContact CD1-CD2 4.47Å; F71-L224 HydrophobicContact CD2-CD1 3.77Å; F71-L224 HydrophobicContact CE1-CD1 4.01Å; F71-L224 HydrophobicContact CE2-CD1 3.73Å; F71-L224 HydrophobicContact CG-CD1 3.93Å; F71-L224 HydrophobicContact CG-CD2 4.2Å; F71-L224 HydrophobicContact CZ-CD1 3.85Å; M73-L224 HydrophobicContact CE-CD2 4.34Å; M73-L224 HydrophobicContact CG-CD2 4.23Å; M73-L224 HydrophobicContact SD-CD2 4.1Å; L126-L224 HydrophobicContact CD1-CB 4.05Å; L126-L224 HydrophobicContact CD1-CD1 4.11Å; L126-L224 HydrophobicContact CD1-CD2 4.14Å; L126-L224 HydrophobicContact CD1-CG 4.32Å; G138-L224 CarbonylContact O-C 3.52Å; G138-L224 WeakPolarHBondContact O-CA 3.41Å; E210-L224 WeakPolarHBondContact CA-O 3.42Å; V211-L224 HydrophobicContact CB-CB 4.29Å; V211-L224 PolarHBondContact N-O 3.29Å; V211-L224 PolarHBondContact O-N 3.48Å; I213-L224 HydrophobicContact CD1-CB 3.93Å; I213-L224 HydrophobicContact CG1-CB 4.03Å; L224-L226 HydrophobicContact CD1-CD2 3.79Å; L224-L226 HydrophobicContact CD1-CG 4.35Å; L224-L226 HydrophobicContact CD2-CD1 4.46Å; L224-L226 HydrophobicContact CD2-CD2 4.2Å; L224-L226 HydrophobicContact CD2-CG 4.45Å; L224-L226 HydrophobicContact CG-CD1 4.47Å; L224-L226 HydrophobicContact CG-CD2 3.91Å; L224-L226 HydrophobicContact CG-CG 4.02Å
225R98.8Very high88.4Confident12 Ų1241.6 Ų41.65%0.04518%0.18CC..EExtended strand (participates in β ladder)trans-99.8123.2177.4-174.1169.6-78.3-163.6-1.9109.7G138 Y139 G140 P208 E210 T223 W227 D289G138-R225 PolarHBondContact O-N 3.48Å; Y139-R225 WeakPolarHBondContact CA-O 3.25Å; Y139-R225 HydrophobicContact CD1-CB 4.02Å; Y139-R225 HydrophobicContact CD1-CG 4.34Å; Y139-R225 HydrophobicContact CE1-CB 4.03Å; Y139-R225 HydrophobicContact CE1-CG 4.2Å; G140-R225 PolarHBondContact N-O 2.92Å; P208-R225 HydrophobicContact CB-CG 3.92Å; E210-R225 HydrophobicContact CG-CG 4.48Å; E210-R225 IonicContact OE1-CZ 3.84Å; E210-R225 VanDerWaalsContact OE1-CZ 3.32Å; E210-R225 IonicContact OE1-NE 2.89Å; E210-R225 PolarHBondContact OE1-NE 3.39Å; E210-R225 IonicContact OE1-NH2 3.63Å; E210-R225 PolarHBondContact OE1-NH2 2.73Å; T223-R225 HydrophobicContact CG2-CB 4.4Å; R225-W227 HydrophobicContact CG-CZ2 4.43Å; R225-D289 IonicContact CZ-OD2 2.87Å; R225-D289 IonicContact NE-OD2 3.45Å; R225-D289 IonicContact NH1-OD1 3.45Å; R225-D289 PolarHBondContact NH1-OD1 2.71Å; R225-D289 IonicContact NH1-OD2 3.71Å; R225-D289 PolarHBondContact NH1-OD2 3.26Å
226L98.8Very high86.5Confident1 Ų145.4 Ų45.41%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-117.9126.1-175.3-58.7170.2000109.9L113 G140 R142 Y209 V211 L224L113-L226 HydrophobicContact CD1-CD1 3.48Å; L113-L226 VanDerWaalsContact CD1-CD1 3.48Å; L113-L226 HydrophobicContact CD1-CD2 4.4Å; L113-L226 HydrophobicContact CD2-CD1 4.05Å; L113-L226 HydrophobicContact CG-CD1 4.43Å; G140-L226 WeakPolarHBondContact O-CA 3.38Å; R142-L226 HydrophobicContact CB-CB 3.75Å; R142-L226 HydrophobicContact CG-CB 4.49Å; Y209-L226 PolarHBondContact N-O 2.89Å; Y209-L226 PolarHBondContact O-N 3.17Å; V211-L226 HydrophobicContact CG2-CD1 4.21Å; L224-L226 HydrophobicContact CD1-CD2 3.79Å; L224-L226 HydrophobicContact CD1-CG 4.35Å; L224-L226 HydrophobicContact CD2-CD1 4.46Å; L224-L226 HydrophobicContact CD2-CD2 4.2Å; L224-L226 HydrophobicContact CD2-CG 4.45Å; L224-L226 HydrophobicContact CG-CD1 4.47Å; L224-L226 HydrophobicContact CG-CD2 3.91Å; L224-L226 HydrophobicContact CG-CG 4.02Å
227W98.7Very high84.7Confident0 Ų049.6 Ų49.60%023%0.226CC..EExtended strand (participates in β ladder)trans-88.7125.9-179.7-59108.9000111.2Y139 G140 R142 R180 A206 P208 R225 F281 A285 T286 D289Y139-W227 HydrophobicContact CD1-CZ2 4.32Å; Y139-W227 AromaticContact CD1-NE1 3.82Å; Y139-W227 HydrophobicContact CE1-CZ2 4.2Å; G140-W227 PolarHBondContact O-N 3.2Å; R142-W227 PolarHBondContact N-O 3.07Å; R180-W227 HydrophobicContact CG-CH2 4.03Å; R180-W227 HydrophobicContact CG-CZ3 4.17Å; A206-W227 HydrophobicContact CB-CD2 4.35Å; A206-W227 HydrophobicContact CB-CE3 3.79Å; A206-W227 HydrophobicContact CB-CZ3 4.38Å; P208-W227 HydrophobicContact CB-CE3 3.8Å; P208-W227 HydrophobicContact CB-CH2 4.05Å; P208-W227 HydrophobicContact CB-CZ3 3.48Å; P208-W227 VanDerWaalsContact CB-CZ3 3.48Å; P208-W227 HydrophobicContact CG-CE3 4.22Å; P208-W227 HydrophobicContact CG-CH2 4.2Å; P208-W227 HydrophobicContact CG-CZ3 3.55Å; R225-W227 HydrophobicContact CG-CZ2 4.43Å; W227-F281 HydrophobicContact CB-CD1 4.35Å; W227-F281 HydrophobicContact CB-CE1 3.5Å; W227-F281 HydrophobicContact CB-CZ 4.04Å; W227-A285 HydrophobicContact CD2-CB 3.66Å; W227-A285 HydrophobicContact CE3-CB 4.04Å; W227-A285 HydrophobicContact CG-CB 3.96Å; W227-A285 HydrophobicContact CH2-CB 4.49Å; W227-A285 HydrophobicContact CZ2-CB 4.16Å; W227-A285 HydrophobicContact CZ3-CB 4.41Å; W227-T286 PolarHBondContact NE1-OG1 3.08Å; W227-D289 HydrophobicContact CH2-CB 3.86Å; W227-D289 HydrophobicContact CZ2-CB 3.84Å
228A97.5Very high83.1Confident1 Ų152.3 Ų52.31%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-100.7129.8167.500000109.5R142 L207 Y209R142-A228 HydrophobicContact CB-CB 4.33Å; L207-A228 HydrophobicContact CB-CB 4.48Å; L207-A228 PolarHBondContact N-O 2.92Å; L207-A228 PolarHBondContact O-N 2.69Å; Y209-A228 HydrophobicContact CD2-CB 4.01Å; Y209-A228 HydrophobicContact CE2-CB 3.82Å
229A96.3Very high81.4Confident0 Ų052.1 Ų52.10%024%0.239CC..EExtended strand (participates in β ladder)trans-77.6132.4174.700000109.6I204 C205 A255 I258 S259 F281I204-A229 HydrophobicContact CG2-CB 4.01Å; C205-A229 WeakPolarHBondContact O-CA 3.48Å; A229-A255 WeakPolarHBondContact CB-O 3.46Å; A229-I258 HydrophobicContact CB-CB 3.84Å; A229-I258 HydrophobicContact CB-CG2 4.26Å; A229-S259 PolarHBondContact N-OG 2.8Å; A229-F281 HydrophobicContact CB-CE1 4.22Å; A229-F281 HydrophobicContact CB-CE2 3.92Å; A229-F281 HydrophobicContact CB-CZ 3.71Å
230K92.1Very high79.6Confident52 Ų5254.8 Ų54.823%0.22625%0.253CS..EExtended strand (participates in β ladder)trans-133.2134.6175.8-65.3-63.7177.1-162.50110E144 C205 L207 R232 E256E144-K230 IonicContact OE1-NZ 2.99Å; C205-K230 HydrophobicContact CB-CB 4.21Å; C205-K230 WeakPolarHBondContact CB-O 3.33Å; C205-K230 PolarHBondContact N-O 2.69Å; C205-K230 PolarHBondContact O-N 3.23Å; L207-K230 HydrophobicContact CB-CG 4.28Å; L207-K230 HydrophobicContact CD2-CG 4.25Å; K230-R232 PolarHBondContact O-N 3.1Å; K230-E256 HydrophobicContact CD-CG 4.47Å
231G82.9Confident77.9Confident21 Ų2162 Ų6222%0.21629%0.287CS..EExtended strand (participates in β ladder)trans-64130.2174.100000111K233G231-K233 VanDerWaalsContact C-N 3.26Å; G231-K233 PolarHBondContact O-N 2.98Å
232R71.3Confident76.5Confident118 Ų11868.2 Ų68.245%0.44532%0.319SS..  trans-73.4-14.3-179.1-169177.4-178.6-178.21.1113.7T203 K230 Y234T203-R232 VanDerWaalsContact OG1-CD 3.28Å; T203-R232 WeakPolarHBondContact OG1-CD 3.32Å; K230-R232 PolarHBondContact O-N 3.1Å; R232-Y234 PolarHBondContact O-N 2.94Å
233K58Low74.8Confident143 Ų14373.9 Ų73.962%0.62235%0.35SS*.  trans-60.6102.2-171.1-76.4-174179.5178.30110.8G231 F235G231-K233 VanDerWaalsContact C-N 3.26Å; G231-K233 PolarHBondContact O-N 2.98Å; K233-F235 PolarHBondContact O-N 3.32Å
234Y51Low73.4Confident204 Ų20477 Ų7780%0.837%0.367SS*.  trans-44.3135.3146.1-66.1-86.7000107R232 D236R232-Y234 PolarHBondContact O-N 2.94Å; Y234-D236 PolarHBondContact O-N 2.95Å
235F52.9Low72.1Confident164 Ų16481.7 Ų81.772%0.71939%0.385SS*.  trans-49.7101.7175.8-138.5-89.8000108.2K233 T237 I240K233-F235 PolarHBondContact O-N 3.32Å; F235-T237 PolarHBondContact O-N 3.43Å; F235-I240 HydrophobicContact CD1-CD1 4.4Å; F235-I240 HydrophobicContact CE1-CD1 4.33Å; F235-I240 HydrophobicContact CE1-CG1 4.33Å
236D55.5Low70.8Confident79 Ų7987 Ų8742%0.42241%0.413SS..  trans-69.8109.2-177.7179-1.6000106.6Y234 K238 I239Y234-D236 PolarHBondContact O-N 2.95Å; D236-K238 PolarHBondContact O-N 3.08Å; D236-K238 VanDerWaalsContact O-N 3.08Å; D236-K238 WeakPolarHBondContact OD1-CB 3.47Å; D236-K238 PolarHBondContact OD1-N 2.71Å; D236-K238 VanDerWaalsContact OD1-N 3.12Å; D236-I239 HydrophobicContact CB-CD1 3.72Å; D236-I239 HydrophobicContact CB-CG1 3.89Å; D236-I239 WeakPolarHBondContact O-CB 3.47Å; D236-I239 VanDerWaalsContact O-CG1 3.3Å; D236-I239 WeakPolarHBondContact O-CG1 3.26Å; D236-I239 PolarHBondContact O-N 2.9Å
237T58.2Low69.4Low92 Ų9291.2 Ų91.256%0.56444%0.436SS*.Hα-helixtrans-61.9-19.9-174.4510000112.1F235 I239 I240 H241F235-T237 PolarHBondContact O-N 3.43Å; T237-I239 PolarHBondContact O-N 3.25Å; T237-I240 WeakPolarHBondContact O-CB 3.41Å; T237-I240 PolarHBondContact O-N 3.32Å; T237-H241 PolarHBondContact O-CD2 3.26Å
238K60.5Low67.9Low145 Ų14592.4 Ų92.463%0.6345%0.445SS*.Hα-helixtrans-63.1-24.6171.6-64.9-177.6178-1790113D236 I240 H241 N242D236-K238 PolarHBondContact O-N 3.08Å; D236-K238 VanDerWaalsContact O-N 3.08Å; D236-K238 WeakPolarHBondContact OD1-CB 3.47Å; D236-K238 PolarHBondContact OD1-N 2.71Å; D236-K238 VanDerWaalsContact OD1-N 3.12Å; K238-I240 VanDerWaalsContact C-N 3.31Å; K238-H241 WeakPolarHBondContact O-CB 3.44Å; K238-H241 PolarHBondContact O-N 2.98Å; K238-N242 PolarHBondContact O-N 2.7Å
239I56.8Low66.6Low28 Ų2897.2 Ų97.214%0.14447%0.47CS..Hα-helixtrans-67.6-35.3177.4-60.9-179.7000110.7D236 T237 H241 N242 N243 D244 A248D236-I239 HydrophobicContact CB-CD1 3.72Å; D236-I239 HydrophobicContact CB-CG1 3.89Å; D236-I239 WeakPolarHBondContact O-CB 3.47Å; D236-I239 VanDerWaalsContact O-CG1 3.3Å; D236-I239 WeakPolarHBondContact O-CG1 3.26Å; D236-I239 PolarHBondContact O-N 2.9Å; T237-I239 PolarHBondContact O-N 3.25Å; I239-H241 VanDerWaalsContact C-N 3.29Å; I239-H241 PolarHBondContact O-N 3.18Å; I239-N242 PolarHBondContact O-N 3.09Å; I239-N243 PolarHBondContact O-N 3.3Å; I239-N243 VanDerWaalsContact O-N 3.08Å; I239-D244 VanDerWaalsContact CG2-O 3.27Å; I239-D244 WeakPolarHBondContact CG2-O 3.49Å; I239-D244 PolarHBondContact O-N 3.24Å; I239-A248 HydrophobicContact CD1-CB 3.43Å; I239-A248 VanDerWaalsContact CD1-CB 3.43Å; I239-A248 HydrophobicContact CG1-CB 4.5Å; I239-A248 HydrophobicContact CG2-CB 3.82Å
240I55.7Low65.5Low81 Ų81101 Ų10142%0.41549%0.49SS..Hα-helixtrans-65.1-37.7173.6-59.1175.3000110.1F235 T237 K238 N242 Y245F235-I240 HydrophobicContact CD1-CD1 4.4Å; F235-I240 HydrophobicContact CE1-CD1 4.33Å; F235-I240 HydrophobicContact CE1-CG1 4.33Å; T237-I240 WeakPolarHBondContact O-CB 3.41Å; T237-I240 PolarHBondContact O-N 3.32Å; K238-I240 VanDerWaalsContact C-N 3.31Å; I240-N242 VanDerWaalsContact C-N 3.31Å; I240-N242 PolarHBondContact O-N 3.38Å; I240-Y245 HydrophobicContact CG1-CE1 4.31Å
241H59.9Low64.5Low156 Ų15699.4 Ų99.472%0.72249%0.488SS*.Hα-helixtrans-69.4-27.3178.7-73.2-71000113.6T237 K238 I239T237-H241 PolarHBondContact O-CD2 3.26Å; K238-H241 WeakPolarHBondContact O-CB 3.44Å; K238-H241 PolarHBondContact O-N 2.98Å; I239-H241 VanDerWaalsContact C-N 3.29Å; I239-H241 PolarHBondContact O-N 3.18Å
242N67.1Low64.1Low129 Ų129104.6 Ų104.669%0.6950%0.501SS*.Hα-helixtrans-106.13.8-176.7-69.9-8.1000114.3K238 I239 I240 D244K238-N242 PolarHBondContact O-N 2.7Å; I239-N242 PolarHBondContact O-N 3.09Å; I240-N242 VanDerWaalsContact C-N 3.31Å; I240-N242 PolarHBondContact O-N 3.38Å; N242-D244 PolarHBondContact O-N 3.09Å; N242-D244 VanDerWaalsContact O-N 3.13Å
243N61.1Low64.5Low124 Ų124101.5 Ų101.566%0.66349%0.493SS*.THydrogen-bonded Turntrans55.521.4-176-93.4-2.2000115.4I239 Y245I239-N243 PolarHBondContact O-N 3.3Å; I239-N243 VanDerWaalsContact O-N 3.08Å; N243-Y245 VanDerWaalsContact C-N 3.31Å; N243-Y245 HydrophobicContact CB-CE2 4.44Å; N243-Y245 PolarHBondContact O-N 3.18Å; N243-Y245 WeakPolarHBondContact OD1-CE2 3.02Å
244D70.2Confident65.5Low67 Ų67100.4 Ų100.436%0.35849%0.491SS..  trans-94.349.9-174.8-165.45.2000113.1I239 N242 I246 N247 A248I239-D244 VanDerWaalsContact CG2-O 3.27Å; I239-D244 WeakPolarHBondContact CG2-O 3.49Å; I239-D244 PolarHBondContact O-N 3.24Å; N242-D244 PolarHBondContact O-N 3.09Å; N242-D244 VanDerWaalsContact O-N 3.13Å; D244-I246 PolarHBondContact O-N 2.87Å; D244-N247 WeakPolarHBondContact OD1-CB 3.4Å; D244-N247 VanDerWaalsContact OD1-CG 3.28Å; D244-N247 PolarHBondContact OD1-N 3.23Å; D244-N247 PolarHBondContact OD1-ND2 3.08Å; D244-N247 WeakPolarHBondContact OD2-CB 3.36Å; D244-N247 PolarHBondContact OD2-ND2 2.91Å; D244-A248 PolarHBondContact O-N 3.33Å
245Y70.3Confident67Low98 Ų9890.9 Ų90.938%0.38445%0.454SS..Hα-helixtrans-61.5-30.9-177.4-60.7-80000112.9I240 N243 A248 I249I240-Y245 HydrophobicContact CG1-CE1 4.31Å; N243-Y245 VanDerWaalsContact C-N 3.31Å; N243-Y245 HydrophobicContact CB-CE2 4.44Å; N243-Y245 PolarHBondContact O-N 3.18Å; N243-Y245 WeakPolarHBondContact OD1-CE2 3.02Å; Y245-A248 WeakPolarHBondContact O-CB 3.22Å; Y245-I249 WeakPolarHBondContact O-CG1 3.41Å; Y245-I249 PolarHBondContact O-N 2.82Å
246I73.1Confident68.7Low123 Ų12383.9 Ų83.963%0.63142%0.423SS*.Hα-helixtrans-66.4-52.6-177.1-63.5178.2000110.1D244 A248 I249 L250D244-I246 PolarHBondContact O-N 2.87Å; I246-A248 PolarHBondContact O-N 3.36Å; I246-I249 PolarHBondContact O-N 2.95Å; I246-I249 VanDerWaalsContact O-N 3.15Å; I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.17Å; I246-L250 VanDerWaalsContact O-CG 3.32Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.2Å
247N69.2Low70.4Confident91 Ų9182.6 Ų82.649%0.48742%0.417SS..Hα-helixtrans-64.8-29.5-178.1-70-31.2000112.7D244 L250 G251D244-N247 WeakPolarHBondContact OD1-CB 3.4Å; D244-N247 VanDerWaalsContact OD1-CG 3.28Å; D244-N247 PolarHBondContact OD1-N 3.23Å; D244-N247 PolarHBondContact OD1-ND2 3.08Å; D244-N247 WeakPolarHBondContact OD2-CB 3.36Å; D244-N247 PolarHBondContact OD2-ND2 2.91Å; N247-L250 PolarHBondContact O-N 2.89Å; N247-G251 PolarHBondContact O-N 2.94Å; N247-G251 VanDerWaalsContact O-N 3.16Å
248A65.6Low72.1Confident25 Ų2578.3 Ų78.321%0.20739%0.39CS..Hα-helixtrans-60.5-47.8173.800000112.4I239 D244 Y245 I246 R252I239-A248 HydrophobicContact CD1-CB 3.43Å; I239-A248 VanDerWaalsContact CD1-CB 3.43Å; I239-A248 HydrophobicContact CG1-CB 4.5Å; I239-A248 HydrophobicContact CG2-CB 3.82Å; D244-A248 PolarHBondContact O-N 3.33Å; Y245-A248 WeakPolarHBondContact O-CB 3.22Å; I246-A248 PolarHBondContact O-N 3.36Å; A248-R252 PolarHBondContact O-N 3.01Å
249I70.9Confident73.8Confident101 Ų10171.4 Ų71.452%0.51836%0.36SS..Hα-helixtrans-71.8-38.9-179.6-66.9168.8000110.1Y245 I246 G251 R252 N253Y245-I249 WeakPolarHBondContact O-CG1 3.41Å; Y245-I249 PolarHBondContact O-N 2.82Å; I246-I249 PolarHBondContact O-N 2.95Å; I246-I249 VanDerWaalsContact O-N 3.15Å; I249-G251 PolarHBondContact O-N 3.24Å; I249-R252 PolarHBondContact O-N 2.77Å; I249-R252 VanDerWaalsContact O-N 3.17Å; I249-N253 PolarHBondContact O-N 2.84Å
250L72.4Confident75.4Confident81 Ų8173.8 Ų73.842%0.42437%0.367SS..Hα-helixtrans-57.1-50.2177.5-72.1176.1000111.7I246 N247 R252 N253 E254I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.17Å; I246-L250 VanDerWaalsContact O-CG 3.32Å; I246-L250 WeakPolarHBondContact O-CG 3.48Å; I246-L250 PolarHBondContact O-N 3.2Å; N247-L250 PolarHBondContact O-N 2.89Å; L250-R252 PolarHBondContact O-N 3.16Å; L250-N253 PolarHBondContact O-N 3.19Å; L250-N253 VanDerWaalsContact O-N 3.11Å; L250-E254 WeakPolarHBondContact O-CG 3.29Å; L250-E254 PolarHBondContact O-N 3.14Å
251G71.7Confident77.2Confident18 Ų1872.4 Ų72.419%0.18636%0.362CS..Hα-helixtrans-63.3-29.3178.700000113.8N247 I249 A255N247-G251 PolarHBondContact O-N 2.94Å; N247-G251 VanDerWaalsContact O-N 3.16Å; I249-G251 PolarHBondContact O-N 3.24Å; G251-A255 PolarHBondContact O-N 2.72Å
252R75.6Confident78.5Confident129 Ų12965.1 Ų65.149%0.48733%0.329SS..Hα-helixtrans-70.9-45.4172.5-179176.9176.3164.5-0.6111.4A248 I249 L250 E254 A255 E256A248-R252 PolarHBondContact O-N 3.01Å; I249-R252 PolarHBondContact O-N 2.77Å; I249-R252 VanDerWaalsContact O-N 3.17Å; L250-R252 PolarHBondContact O-N 3.16Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 2.96Å; R252-A255 PolarHBondContact O-N 2.94Å; R252-E256 IonicContact CZ-OE1 2.79Å; R252-E256 IonicContact NE-OE1 3.85Å; R252-E256 PolarHBondContact NE-OE1 3.16Å; R252-E256 IonicContact NH2-OE1 3.51Å; R252-E256 PolarHBondContact NH2-OE1 3.24Å; R252-E256 WeakPolarHBondContact O-CG 3.47Å; R252-E256 PolarHBondContact O-N 3.47Å
253N79Confident79.2Confident54 Ų5461.5 Ų61.529%0.28931%0.306SS..Hα-helixtrans-63.4-37.2178.2-76.3-22000112I249 L250 E256 N257I249-N253 PolarHBondContact O-N 2.84Å; L250-N253 PolarHBondContact O-N 3.19Å; L250-N253 VanDerWaalsContact O-N 3.11Å; N253-E256 PolarHBondContact O-N 2.78Å; N253-N257 PolarHBondContact O-N 2.76Å; N253-N257 PolarHBondContact O-ND2 3.43Å; N253-N257 PolarHBondContact O-OD1 2.95Å
254E79.6Confident80Confident120 Ų12056.5 Ų56.556%0.56128%0.28SS*.Hα-helixtrans-61.1-42.5175.2-76.7175.2-18000112.1L250 R252 N257L250-E254 WeakPolarHBondContact O-CG 3.29Å; L250-E254 PolarHBondContact O-N 3.14Å; R252-E254 VanDerWaalsContact C-N 3.31Å; R252-E254 PolarHBondContact O-N 2.96Å; E254-N257 WeakPolarHBondContact O-CB 3.48Å; E254-N257 PolarHBondContact O-N 2.78Å
255A81.6Confident80.1Confident3 Ų357.7 Ų57.73%0.02529%0.285CS..Hα-helixtrans-65.5-41.9174.800000112.1I204 A229 G251 R252 N257I204-A255 HydrophobicContact CD1-CB 3.77Å; I204-A255 HydrophobicContact CG1-CB 3.87Å; I204-A255 HydrophobicContact CG2-CB 4.33Å; A229-A255 WeakPolarHBondContact CB-O 3.46Å; G251-A255 PolarHBondContact O-N 2.72Å; R252-A255 PolarHBondContact O-N 2.94Å; A255-N257 VanDerWaalsContact C-N 3.29Å; A255-N257 PolarHBondContact O-N 2.86Å
256E89.2Confident79.8Confident17 Ų1757.2 Ų57.28%0.07929%0.287CS..Hα-helixtrans-72-21.2-179.5-67.8-179.5-178.700112.7K230 R252 N253 I258 S259K230-E256 HydrophobicContact CD-CG 4.47Å; R252-E256 IonicContact CZ-OE1 2.79Å; R252-E256 IonicContact NE-OE1 3.85Å; R252-E256 PolarHBondContact NE-OE1 3.16Å; R252-E256 IonicContact NH2-OE1 3.51Å; R252-E256 PolarHBondContact NH2-OE1 3.24Å; R252-E256 WeakPolarHBondContact O-CG 3.47Å; R252-E256 PolarHBondContact O-N 3.47Å; N253-E256 PolarHBondContact O-N 2.78Å; E256-I258 PolarHBondContact O-N 3.29Å; E256-I258 VanDerWaalsContact O-N 3.12Å; E256-S259 PolarHBondContact O-N 3.39Å; E256-S259 VanDerWaalsContact O-N 3.14Å
257N91.2Very high79.5Confident53 Ų5356.6 Ų56.628%0.28329%0.293SS..G310 helixtrans-58.6-26.1176.3-77.2-23.6000113.2N253 E254 A255 S259 R260 L274N253-N257 PolarHBondContact O-N 2.76Å; N253-N257 PolarHBondContact O-ND2 3.43Å; N253-N257 PolarHBondContact O-OD1 2.95Å; E254-N257 WeakPolarHBondContact O-CB 3.48Å; E254-N257 PolarHBondContact O-N 2.78Å; A255-N257 VanDerWaalsContact C-N 3.29Å; A255-N257 PolarHBondContact O-N 2.86Å; N257-S259 VanDerWaalsContact C-N 3.29Å; N257-S259 PolarHBondContact O-N 3.45Å; N257-R260 WeakPolarHBondContact O-CB 3.44Å; N257-R260 PolarHBondContact O-N 3.11Å; N257-R260 VanDerWaalsContact O-N 3.15Å; N257-R260 PolarHBondContact OD1-NH1 3.03Å; N257-L274 HydrophobicContact CB-CD1 4.39Å
258I93.9Very high79.6Confident1 Ų154.3 Ų54.31%0.00529%0.287CS..G310 helixtrans-55.8-43.8176.2-65.7-179.2000110.9F184 I204 A229 E256 L274 K277 Q278 F281F184-I258 HydrophobicContact CE2-CD1 3.76Å; F184-I258 HydrophobicContact CZ-CD1 3.87Å; I204-I258 HydrophobicContact CD1-CD1 3.4Å; A229-I258 HydrophobicContact CB-CB 3.84Å; A229-I258 HydrophobicContact CB-CG2 4.26Å; E256-I258 PolarHBondContact O-N 3.29Å; E256-I258 VanDerWaalsContact O-N 3.12Å; I258-L274 HydrophobicContact CG1-CD1 4.23Å; I258-K277 HydrophobicContact CD1-CB 4.09Å; I258-K277 HydrophobicContact CD1-CD 4.45Å; I258-K277 HydrophobicContact CG1-CB 4.21Å; I258-Q278 HydrophobicContact CG2-CG 4.02Å; I258-Q278 WeakPolarHBondContact O-CG 3.24Å; I258-Q278 PolarHBondContact O-NE2 3.25Å; I258-F281 HydrophobicContact CG2-CB 3.74Å; I258-F281 HydrophobicContact CG2-CD1 3.78Å; I258-F281 HydrophobicContact CG2-CD2 4.29Å; I258-F281 HydrophobicContact CG2-CE1 4.44Å; I258-F281 HydrophobicContact CG2-CG 3.68Å
259S95.1Very high80.2Confident0 Ų057.9 Ų57.90%030%0.298CS..G310 helixtrans-100.321.9179.758.60000113.1Y143 E144 A229 E256 N257Y143-S259 CarbonylContact C-O 3.47Å; Y143-S259 VanDerWaalsContact CA-O 3.23Å; Y143-S259 WeakPolarHBondContact CA-O 3.37Å; E144-S259 PolarHBondContact N-O 2.87Å; A229-S259 PolarHBondContact N-OG 2.8Å; E256-S259 PolarHBondContact O-N 3.39Å; E256-S259 VanDerWaalsContact O-N 3.14Å; N257-S259 VanDerWaalsContact C-N 3.29Å; N257-S259 PolarHBondContact O-N 3.45Å
260R92Very high80.7Confident78 Ų7859.4 Ų59.429%0.29430%0.303SS..THydrogen-bonded Turntrans-89.7-43.2-173.4-168.8168.8-92.4177.2-11.9113.9E144 N145 N257E144-R260 PolarHBondContact N-O 2.89Å; E144-R260 IonicContact OE2-NE 2.79Å; N145-R260 WeakPolarHBondContact CB-O 3.27Å; N145-R260 PolarHBondContact N-O 3.05Å; N145-R260 WeakPolarHBondContact ND2-CG 3.42Å; N145-R260 PolarHBondContact ND2-O 3.33Å; N257-R260 WeakPolarHBondContact O-CB 3.44Å; N257-R260 PolarHBondContact O-N 3.11Å; N257-R260 VanDerWaalsContact O-N 3.15Å; N257-R260 PolarHBondContact OD1-NH1 3.03Å
261V91.8Very high81.3Confident52 Ų5256 Ų5632%0.31529%0.287SS..  trans-139140.7-176.1-175.90000110.6N145 G146 Q278N145-V261 HydrophobicContact CB-CG2 4.37Å; G146-V261 CarbonylContact O-C 3.56Å; G146-V261 WeakPolarHBondContact O-CA 3.13Å; G146-V261 WeakPolarHBondContact O-CG1 3.42Å; V261-Q278 PolarHBondContact O-NE2 2.69Å
262L88.9Confident82.1Confident3 Ų358.8 Ų58.82%0.01630%0.295CS..SBendtrans-79.8125.8172.5173.466.3000110.3E70 G114 N115 Y143 G146 A147E70-L262 HydrophobicContact CB-CD1 4.46Å; E70-L262 HydrophobicContact CB-CD2 4.37Å; G114-L262 VanDerWaalsContact CA-CD2 3.5Å; N115-L262 HydrophobicContact CB-CD2 4.03Å; Y143-L262 HydrophobicContact CD1-CB 4.09Å; Y143-L262 HydrophobicContact CD2-CB 4.02Å; Y143-L262 HydrophobicContact CD2-CD1 4.33Å; Y143-L262 HydrophobicContact CE1-CB 4.16Å; Y143-L262 HydrophobicContact CE1-CD1 4.19Å; Y143-L262 HydrophobicContact CE2-CB 4.11Å; Y143-L262 HydrophobicContact CE2-CD1 3.59Å; Y143-L262 HydrophobicContact CE2-CG 4.33Å; Y143-L262 HydrophobicContact CG-CB 4Å; Y143-L262 VanDerWaalsContact CZ-CD1 3.48Å; Y143-L262 WeakPolarHBondContact OH-CD1 3.3Å; G146-L262 PolarHBondContact O-N 3.1Å; A147-L262 HydrophobicContact CB-CD2 4.48Å
263Y81.2Confident82.9Confident53 Ų5353.5 Ų53.521%0.20828%0.275CS..SBendtrans5674.9-179.4-57.1-52.8000113.2H318Y263-H318 AromaticContact CE1-NE2 3.89Å
264P77.1Confident83.6Confident19 Ų1952.9 Ų52.912%0.12327%0.272CS..  trans-58.6157.717528.2-35.8000111.6E266 L274 Q275P264-E266 PolarHBondContact O-N 3.44Å; P264-E266 VanDerWaalsContact O-N 3.08Å; P264-L274 HydrophobicContact CB-CD2 3.88Å; P264-L274 HydrophobicContact CB-CG 4.47Å; P264-L274 HydrophobicContact CG-CB 4.19Å; P264-L274 HydrophobicContact CG-CD2 4.01Å; P264-L274 HydrophobicContact CG-CG 4.05Å; P264-Q275 HydrophobicContact CG-CB 4.14Å
265I72.4Confident84.3Confident92 Ų9247.7 Ų47.747%0.47225%0.247SC..  trans-66.9111-177-57.9175.8000110S267 G271 P589I265-S267 VanDerWaalsContact C-N 3.28Å; I265-S267 VanDerWaalsContact CG2-OG 3.32Å; I265-S267 WeakPolarHBondContact CG2-OG 3.3Å; I265-S267 PolarHBondContact O-N 3.16Å; I265-G271 WeakPolarHBondContact O-CA 3.09Å; I265-P589 HydrophobicContact CD1-CB 3.85Å; I265-P589 HydrophobicContact CG1-CB 4.05Å; I265-P589 HydrophobicContact CG1-CG 4.4Å
266E65Low85Confident88 Ų8847.5 Ų47.541%0.41125%0.246SC..THydrogen-bonded Turntrans-79.50-175.5-63.9174.1-151.400114.9P264 A268 K272 Q275P264-E266 PolarHBondContact O-N 3.44Å; P264-E266 VanDerWaalsContact O-N 3.08Å; E266-A268 PolarHBondContact O-N 3.15Å; E266-K272 HydrophobicContact CB-CG 4.04Å; E266-K272 HydrophobicContact CG-CG 4.45Å; E266-K272 WeakPolarHBondContact O-CE 3.38Å; E266-Q275 VanDerWaalsContact OE1-CD 3.26Å; E266-Q275 PolarHBondContact OE1-NE2 3.06Å; E266-Q275 PolarHBondContact OE1-OE1 3.17Å
267S65.2Low85.3Confident110 Ų11048 Ų4877%0.76925%0.248SC*.THydrogen-bonded Turntrans-66.6-21.6-179.162.10000112.7I265I265-S267 VanDerWaalsContact C-N 3.28Å; I265-S267 VanDerWaalsContact CG2-OG 3.32Å; I265-S267 WeakPolarHBondContact CG2-OG 3.3Å; I265-S267 PolarHBondContact O-N 3.16Å
268A71.6Confident85.6Confident43 Ų4345.5 Ų45.536%0.35523%0.234SC..SBendtrans-107.4151.3174.700000110.5E266 E270 G271 K272E266-A268 PolarHBondContact O-N 3.15Å; A268-E270 WeakPolarHBondContact CB-OE2 3.35Å; A268-E270 PolarHBondContact O-N 3.27Å; A268-G271 PolarHBondContact O-N 3.18Å; A268-G271 VanDerWaalsContact O-N 3.09Å; A268-K272 PolarHBondContact O-N 3.28Å
269F79.5Confident85.8Confident101 Ų10145.5 Ų45.544%0.44323%0.234SC..Hα-helixtrans-57.5-39.2-179.3177.7-96.1000112.1G271 K272 E273 M368F269-G271 VanDerWaalsContact C-N 3.28Å; F269-G271 PolarHBondContact O-N 2.83Å; F269-K272 PolarHBondContact O-N 3.38Å; F269-E273 PolarHBondContact O-N 3.32Å; F269-M368 HydrophobicContact CD2-CE 3.55Å; F269-M368 HydrophobicContact CE1-CE 4.44Å; F269-M368 HydrophobicContact CE2-CE 3.36Å; F269-M368 HydrophobicContact CG-CE 4.21Å; F269-M368 HydrophobicContact CZ-CE 3.87Å
270E81.9Confident86Confident132 Ų13245.5 Ų45.562%0.61723%0.234SC*.Hα-helixtrans-61-36.1178.2-61.680.5-178.500112A268 L274A268-E270 WeakPolarHBondContact CB-OE2 3.35Å; A268-E270 PolarHBondContact O-N 3.27Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 PolarHBondContact O-N 3.45Å
271G84.5Confident86.3Confident9 Ų941.8 Ų41.89%0.09322%0.22CC..Hα-helixtrans-69.1-41.7178.300000112.6I265 A268 F269 L274 Q275I265-G271 WeakPolarHBondContact O-CA 3.09Å; A268-G271 PolarHBondContact O-N 3.18Å; A268-G271 VanDerWaalsContact O-N 3.09Å; F269-G271 VanDerWaalsContact C-N 3.28Å; F269-G271 PolarHBondContact O-N 2.83Å; G271-L274 PolarHBondContact O-N 3.41Å; G271-Q275 PolarHBondContact O-N 3.01Å
272K88.2Confident86.6Confident78 Ų7839.3 Ų39.334%0.33921%0.205SC..Hα-helixtrans-63-46.4174.2-72.7-174.1179.2-175.90111.4E266 A268 F269 L274 Q275 L276 W364 M368E266-K272 HydrophobicContact CB-CG 4.04Å; E266-K272 HydrophobicContact CG-CG 4.45Å; E266-K272 WeakPolarHBondContact O-CE 3.38Å; A268-K272 PolarHBondContact O-N 3.28Å; F269-K272 PolarHBondContact O-N 3.38Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-L274 PolarHBondContact O-N 3.48Å; K272-Q275 PolarHBondContact O-N 3.15Å; K272-L276 PolarHBondContact O-N 3.17Å; K272-W364 HydrophobicContact CB-CZ3 4.18Å; K272-W364 VanDerWaalsContact O-CH2 3.32Å; K272-W364 WeakPolarHBondContact O-CH2 3.48Å; K272-W364 WeakPolarHBondContact O-CZ3 3.41Å; K272-M368 HydrophobicContact CB-CE 3.83Å; K272-M368 HydrophobicContact CB-SD 4.18Å
273E93.1Very high87.1Confident18 Ų1839.1 Ų39.18%0.08421%0.205CC..Hα-helixtrans-61.8-41.2176.8-179.9172.4-176.500111.9Y185 F269 Q275 L276 K277 M368 R371 V372Y185-E273 VanDerWaalsContact CE1-OE1 3.24Å; Y185-E273 WeakPolarHBondContact CE1-OE1 3.48Å; Y185-E273 VanDerWaalsContact CZ-OE1 3.28Å; Y185-E273 PolarHBondContact OH-OE1 3.13Å; F269-E273 PolarHBondContact O-N 3.32Å; E273-Q275 PolarHBondContact O-N 3.29Å; E273-L276 WeakPolarHBondContact O-CB 3.45Å; E273-L276 PolarHBondContact O-N 2.91Å; E273-K277 WeakPolarHBondContact O-CG 3.15Å; E273-K277 PolarHBondContact O-N 2.92Å; E273-M368 HydrophobicContact CB-CE 4.27Å; E273-M368 HydrophobicContact CB-SD 4.28Å; E273-R371 VanDerWaalsContact CD-NH1 3.32Å; E273-R371 IonicContact OE1-CZ 2.61Å; E273-R371 IonicContact OE1-NH1 2.69Å; E273-R371 PolarHBondContact OE1-NH1 2.89Å; E273-R371 IonicContact OE1-NH2 2.73Å; E273-R371 PolarHBondContact OE1-NH2 3.04Å; E273-R371 IonicContact OE2-CZ 3.9Å; E273-R371 IonicContact OE2-NH1 2.64Å; E273-R371 PolarHBondContact OE2-NH1 3.14Å; E273-R371 IonicContact OE2-NH2 2.69Å; E273-R371 PolarHBondContact OE2-NH2 2.79Å; E273-V372 HydrophobicContact CG-CG2 4.02Å
274L93.3Very high87.9Confident41 Ų4136.7 Ų36.722%0.21520%0.195CC..Hα-helixtrans-61.9-42.3176.5-179.259.3000111.9N257 I258 P264 E270 G271 K272 K277 Q278N257-L274 HydrophobicContact CB-CD1 4.39Å; I258-L274 HydrophobicContact CG1-CD1 4.23Å; P264-L274 HydrophobicContact CB-CD2 3.88Å; P264-L274 HydrophobicContact CB-CG 4.47Å; P264-L274 HydrophobicContact CG-CB 4.19Å; P264-L274 HydrophobicContact CG-CD2 4.01Å; P264-L274 HydrophobicContact CG-CG 4.05Å; E270-L274 WeakPolarHBondContact O-CB 3.48Å; E270-L274 PolarHBondContact O-N 3.45Å; G271-L274 PolarHBondContact O-N 3.41Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-L274 PolarHBondContact O-N 3.48Å; L274-K277 WeakPolarHBondContact O-CB 3.4Å; L274-K277 PolarHBondContact O-N 3.37Å; L274-Q278 WeakPolarHBondContact O-CG 3.45Å; L274-Q278 PolarHBondContact O-N 2.98Å
275Q93.8Very high89Confident10 Ų1035.8 Ų35.85%0.04719%0.189CC..Hα-helixtrans-64.1-41.2176-179.8-175.236.900112P264 E266 G271 K272 E273 K277 Q278 E279 W364P264-Q275 HydrophobicContact CG-CB 4.14Å; E266-Q275 VanDerWaalsContact OE1-CD 3.26Å; E266-Q275 PolarHBondContact OE1-NE2 3.06Å; E266-Q275 PolarHBondContact OE1-OE1 3.17Å; G271-Q275 PolarHBondContact O-N 3.01Å; K272-Q275 PolarHBondContact O-N 3.15Å; E273-Q275 PolarHBondContact O-N 3.29Å; Q275-K277 VanDerWaalsContact C-N 3.3Å; Q275-K277 PolarHBondContact O-N 3.25Å; Q275-Q278 WeakPolarHBondContact O-CB 3.31Å; Q275-Q278 PolarHBondContact O-N 3.5Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.44Å; Q275-E279 PolarHBondContact O-N 2.93Å; Q275-W364 HydrophobicContact CB-CH2 4Å; Q275-W364 HydrophobicContact CG-CH2 3.96Å; Q275-W364 HydrophobicContact CG-CZ2 4.27Å
276L96Very high90.2Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-58.9-43.2172.1175.661.8000111.2K272 E273 Q278 E279 Y280 L321 W364 M368 L369 V372 L373K272-L276 PolarHBondContact O-N 3.17Å; E273-L276 WeakPolarHBondContact O-CB 3.45Å; E273-L276 PolarHBondContact O-N 2.91Å; L276-Q278 PolarHBondContact O-N 2.82Å; L276-E279 PolarHBondContact O-N 3.2Å; L276-Y280 PolarHBondContact O-N 3.03Å; L276-L321 HydrophobicContact CD1-CD1 3.65Å; L276-W364 HydrophobicContact CB-CD2 4.41Å; L276-W364 HydrophobicContact CB-CE3 4.18Å; L276-W364 HydrophobicContact CB-CH2 3.78Å; L276-W364 HydrophobicContact CB-CZ2 3.99Å; L276-W364 HydrophobicContact CB-CZ3 3.88Å; L276-W364 HydrophobicContact CD1-CD2 4.11Å; L276-W364 HydrophobicContact CD1-CG 4.41Å; L276-W364 HydrophobicContact CD1-CZ2 4.34Å; L276-M368 HydrophobicContact CD2-CG 3.99Å; L276-M368 HydrophobicContact CD2-SD 4.33Å; L276-L369 HydrophobicContact CD1-CD1 3.7Å; L276-L369 HydrophobicContact CD2-CD1 3.95Å; L276-L369 HydrophobicContact CG-CD1 4.45Å; L276-V372 HydrophobicContact CD2-CB 4.01Å; L276-V372 HydrophobicContact CD2-CG1 4.31Å; L276-V372 HydrophobicContact CD2-CG2 4.11Å; L276-L373 HydrophobicContact CD1-CD1 4.32Å
277K96.6Very high91.8Very high27 Ų2727.2 Ų27.212%0.11715%0.147CC..Hα-helixtrans-62-41.2175.6-73.3-176.3176.8-173.10112.3F184 Y185 I258 E273 L274 Q275 Y280 F281 V372F184-K277 HydrophobicContact CD1-CG 3.96Å; F184-K277 HydrophobicContact CE1-CB 3.84Å; F184-K277 HydrophobicContact CE1-CG 3.75Å; F184-K277 HydrophobicContact CZ-CB 4.11Å; F184-K277 HydrophobicContact CZ-CG 4.35Å; Y185-K277 WeakPolarHBondContact OH-CE 3.4Å; Y185-K277 PolarHBondContact OH-NZ 3.18Å; I258-K277 HydrophobicContact CD1-CB 4.09Å; I258-K277 HydrophobicContact CD1-CD 4.45Å; I258-K277 HydrophobicContact CG1-CB 4.21Å; E273-K277 WeakPolarHBondContact O-CG 3.15Å; E273-K277 PolarHBondContact O-N 2.92Å; L274-K277 WeakPolarHBondContact O-CB 3.4Å; L274-K277 PolarHBondContact O-N 3.37Å; Q275-K277 VanDerWaalsContact C-N 3.3Å; Q275-K277 PolarHBondContact O-N 3.25Å; K277-Y280 PolarHBondContact O-N 3.03Å; K277-F281 WeakPolarHBondContact O-CB 3.49Å; K277-F281 PolarHBondContact O-N 2.94Å; K277-V372 HydrophobicContact CG-CG1 4.3Å
278Q97.3Very high93.4Very high0 Ų024.4 Ų24.40%012%0.122CC..Hα-helixtrans-59.4-48.1175.6-73-179.2-30.600111.9M69 I141 I258 V261 L274 Q275 L276 F281 L282M69-Q278 HydrophobicContact CE-CB 3.64Å; I141-Q278 HydrophobicContact CD1-CB 3.91Å; I141-Q278 HydrophobicContact CD1-CG 4.4Å; I141-Q278 WeakPolarHBondContact CD1-O 3.43Å; I258-Q278 HydrophobicContact CG2-CG 4.02Å; I258-Q278 WeakPolarHBondContact O-CG 3.24Å; I258-Q278 PolarHBondContact O-NE2 3.25Å; V261-Q278 PolarHBondContact O-NE2 2.69Å; L274-Q278 WeakPolarHBondContact O-CG 3.45Å; L274-Q278 PolarHBondContact O-N 2.98Å; Q275-Q278 WeakPolarHBondContact O-CB 3.31Å; Q275-Q278 PolarHBondContact O-N 3.5Å; L276-Q278 PolarHBondContact O-N 2.82Å; Q278-F281 PolarHBondContact O-N 3.39Å; Q278-L282 PolarHBondContact O-N 2.55Å
279E97.9Very high94.7Very high1 Ų122.4 Ų22.41%0.00511%0.105CC..Hα-helixtrans-62.7-47.1179.9-75.7169.5-153.600111.7M69 Q275 L276 F281 L282 V283 H318 K362M69-E279 HydrophobicContact CE-CG 4.26Å; M69-E279 HydrophobicContact CG-CG 4.32Å; M69-E279 HydrophobicContact SD-CG 4.12Å; Q275-E279 WeakPolarHBondContact CG-OE1 3.44Å; Q275-E279 PolarHBondContact O-N 2.93Å; L276-E279 PolarHBondContact O-N 3.2Å; E279-F281 VanDerWaalsContact C-N 3.35Å; E279-F281 PolarHBondContact O-N 3.44Å; E279-L282 PolarHBondContact O-N 3.26Å; E279-V283 WeakPolarHBondContact O-CG1 3.41Å; E279-V283 PolarHBondContact O-N 2.94Å; E279-V283 VanDerWaalsContact O-N 3.15Å; E279-H318 WeakPolarHBondContact CB-O 3.4Å; E279-H318 HydrophobicContact CG-CB 4.12Å; E279-H318 VanDerWaalsContact CG-O 3.27Å; E279-H318 WeakPolarHBondContact CG-O 3.33Å; E279-H318 IonicContact OE1-CD2 3.32Å; E279-K362 IonicContact OE1-NZ 3.8Å; E279-K362 PolarHBondContact OE1-NZ 3.39Å; E279-K362 IonicContact OE2-NZ 3.76Å; E279-K362 PolarHBondContact OE2-NZ 3.31Å
280Y98.6Very high95.5Very high0 Ų017.8 Ų17.80%09%0.085CC..Hα-helixtrans-65.1-39.9177-175.1-109.5000112.5V182 Q183 F184 W198 L276 K277 L282 V283 S284 L321 E325 L373 H376V182-Y280 HydrophobicContact CG1-CD1 3.94Å; V182-Y280 HydrophobicContact CG1-CE1 3.8Å; Q183-Y280 WeakPolarHBondContact O-CE1 3.44Å; F184-Y280 HydrophobicContact CD1-CD1 4.06Å; F184-Y280 AromaticContact CE1-CD1 3.54Å; F184-Y280 HydrophobicContact CE1-CD1 3.54Å; F184-Y280 HydrophobicContact CE1-CG 4.28Å; F184-Y280 HydrophobicContact CZ-CD1 4.01Å; W198-Y280 HydrophobicContact CH2-CE1 4.11Å; W198-Y280 HydrophobicContact CZ3-CE1 4.28Å; W198-Y280 WeakPolarHBondContact CZ3-OH 3.49Å; L276-Y280 PolarHBondContact O-N 3.03Å; K277-Y280 PolarHBondContact O-N 3.03Å; Y280-L282 PolarHBondContact O-N 3.49Å; Y280-V283 HydrophobicContact CD2-CG2 3.97Å; Y280-V283 HydrophobicContact CE2-CG2 4.46Å; Y280-V283 VanDerWaalsContact O-CG2 3.32Å; Y280-V283 WeakPolarHBondContact O-CG2 3.35Å; Y280-V283 PolarHBondContact O-N 3.06Å; Y280-S284 WeakPolarHBondContact O-CB 3.41Å; Y280-S284 PolarHBondContact O-N 3.34Å; Y280-L321 HydrophobicContact CD2-CD1 4.47Å; Y280-E325 HydrophobicContact CE2-CB 4.2Å; Y280-E325 HydrophobicContact CE2-CG 4.21Å; Y280-E325 WeakPolarHBondContact CE2-OE2 3.36Å; Y280-E325 PolarHBondContact OH-OE1 3.07Å; Y280-E325 PolarHBondContact OH-OE2 3.35Å; Y280-L373 HydrophobicContact CD1-CD2 3.48Å; Y280-L373 VanDerWaalsContact CD1-CD2 3.48Å; Y280-L373 HydrophobicContact CD2-CD1 3.81Å; Y280-L373 HydrophobicContact CD2-CD2 3.9Å; Y280-L373 HydrophobicContact CE1-CD2 3.71Å; Y280-L373 HydrophobicContact CE2-CD2 4.14Å; Y280-L373 HydrophobicContact CG-CD1 3.83Å; Y280-L373 HydrophobicContact CG-CD2 3.57Å; Y280-L373 HydrophobicContact CG-CG 4.36Å; Y280-H376 AromaticContact CE2-CD2 3.89Å; Y280-H376 AromaticContact CE2-CE1 3.52Å; Y280-H376 AromaticContact CE2-NE2 3.17Å; Y280-H376 WeakPolarHBondContact CE2-NE2 3.36Å; Y280-H376 AromaticContact CZ-CE1 3.53Å; Y280-H376 AromaticContact CZ-NE2 3.59Å; Y280-H376 PolarHBondContact OH-CE1 3.05Å; Y280-H376 VanDerWaalsContact OH-CE1 3.27Å; Y280-H376 PolarHBondContact OH-NE2 3.14Å
281F98.5Very high96.2Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-58.4-47.1176.9177.3-100.7000112I141 V182 F184 I204 A206 W227 A229 I258 K277 Q278 E279 A285I141-F281 HydrophobicContact CD1-CD1 4.42Å; I141-F281 HydrophobicContact CG1-CD1 4.46Å; V182-F281 HydrophobicContact CB-CD2 4.09Å; V182-F281 HydrophobicContact CG1-CD2 4.29Å; V182-F281 HydrophobicContact CG2-CD2 3.85Å; V182-F281 HydrophobicContact CG2-CE2 4.17Å; F184-F281 HydrophobicContact CZ-CB 4.17Å; I204-F281 HydrophobicContact CG2-CD2 4.45Å; I204-F281 HydrophobicContact CG2-CE2 4.02Å; A206-F281 HydrophobicContact CB-CE1 4.47Å; A206-F281 HydrophobicContact CB-CE2 3.56Å; A206-F281 HydrophobicContact CB-CZ 3.53Å; W227-F281 HydrophobicContact CB-CD1 4.35Å; W227-F281 HydrophobicContact CB-CE1 3.5Å; W227-F281 HydrophobicContact CB-CZ 4.04Å; A229-F281 HydrophobicContact CB-CE1 4.22Å; A229-F281 HydrophobicContact CB-CE2 3.92Å; A229-F281 HydrophobicContact CB-CZ 3.71Å; I258-F281 HydrophobicContact CG2-CB 3.74Å; I258-F281 HydrophobicContact CG2-CD1 3.78Å; I258-F281 HydrophobicContact CG2-CD2 4.29Å; I258-F281 HydrophobicContact CG2-CE1 4.44Å; I258-F281 HydrophobicContact CG2-CG 3.68Å; K277-F281 WeakPolarHBondContact O-CB 3.49Å; K277-F281 PolarHBondContact O-N 2.94Å; Q278-F281 PolarHBondContact O-N 3.39Å; E279-F281 VanDerWaalsContact C-N 3.35Å; E279-F281 PolarHBondContact O-N 3.44Å; F281-A285 WeakPolarHBondContact O-CB 3.39Å; F281-A285 PolarHBondContact O-N 3.17Å
282L98.6Very high96.7Very high0 Ų017.8 Ų17.80%08%0.078CC..Hα-helixtrans-57.5-52.7175.617259000111M69 I141 Q278 E279 Y280 T286M69-L282 HydrophobicContact CG-CD2 4.36Å; M69-L282 HydrophobicContact SD-CB 4.49Å; M69-L282 HydrophobicContact SD-CD2 3.82Å; I141-L282 HydrophobicContact CD1-CB 4.22Å; I141-L282 HydrophobicContact CG1-CB 4.11Å; I141-L282 HydrophobicContact CG1-CD1 4.5Å; Q278-L282 PolarHBondContact O-N 2.55Å; E279-L282 PolarHBondContact O-N 3.26Å; Y280-L282 PolarHBondContact O-N 3.49Å; L282-T286 WeakPolarHBondContact O-CB 3.49Å; L282-T286 PolarHBondContact O-N 2.91Å; L282-T286 VanDerWaalsContact O-N 3.11Å; L282-T286 PolarHBondContact O-OG1 2.8Å
283V98.7Very high96.9Very high0 Ų016.5 Ų16.50%07%0.073CC..Hα-helixtrans-71.3-40.8-171.9-58.10000112.3L67 E279 Y280 T286 L287 P319 L321 A322L67-V283 HydrophobicContact CD2-CG1 4.44Å; E279-V283 WeakPolarHBondContact O-CG1 3.41Å; E279-V283 PolarHBondContact O-N 2.94Å; E279-V283 VanDerWaalsContact O-N 3.15Å; Y280-V283 HydrophobicContact CD2-CG2 3.97Å; Y280-V283 HydrophobicContact CE2-CG2 4.46Å; Y280-V283 VanDerWaalsContact O-CG2 3.32Å; Y280-V283 WeakPolarHBondContact O-CG2 3.35Å; Y280-V283 PolarHBondContact O-N 3.06Å; V283-T286 PolarHBondContact O-N 2.99Å; V283-L287 WeakPolarHBondContact O-CB 3.27Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.47Å; V283-L287 PolarHBondContact O-N 3.32Å; V283-P319 HydrophobicContact CG1-CB 3.9Å; V283-L321 HydrophobicContact CG2-CB 3.93Å; V283-A322 HydrophobicContact CB-CB 3.93Å; V283-A322 HydrophobicContact CG1-CB 3.85Å
284S98.8Very high96.9Very high1 Ų115.9 Ų15.91%0.0077%0.07CC..Hα-helixtrans-67.9-47-178.6-173.30000111.6Y280 T286 L287 Q288 E325Y280-S284 WeakPolarHBondContact O-CB 3.41Å; Y280-S284 PolarHBondContact O-N 3.34Å; S284-T286 VanDerWaalsContact C-N 3.31Å; S284-T286 PolarHBondContact O-N 3.18Å; S284-L287 PolarHBondContact O-N 3.49Å; S284-Q288 WeakPolarHBondContact O-CB 3.36Å; S284-Q288 VanDerWaalsContact O-CG 3.25Å; S284-Q288 WeakPolarHBondContact O-CG 3.41Å; S284-Q288 PolarHBondContact O-N 3.18Å; S284-Q288 VanDerWaalsContact O-N 3.08Å; S284-Q288 PolarHBondContact O-NE2 2.89Å; S284-Q288 PolarHBondContact OG-NE2 2.77Å; S284-E325 WeakPolarHBondContact CB-OE1 3.21Å; S284-E325 PolarHBondContact OG-OE1 3.07Å
285A98.7Very high96.9Very high0 Ų018 Ų180%08%0.078CC..Hα-helixtrans-60.6-43.2177.100000111.5R180 V182 A206 W227 F281 D289R180-A285 HydrophobicContact CB-CB 4.49Å; V182-A285 HydrophobicContact CG2-CB 4.1Å; A206-A285 HydrophobicContact CB-CB 3.48Å; A206-A285 VanDerWaalsContact CB-CB 3.48Å; W227-A285 HydrophobicContact CD2-CB 3.66Å; W227-A285 HydrophobicContact CE3-CB 4.04Å; W227-A285 HydrophobicContact CG-CB 3.96Å; W227-A285 HydrophobicContact CH2-CB 4.49Å; W227-A285 HydrophobicContact CZ2-CB 4.16Å; W227-A285 HydrophobicContact CZ3-CB 4.41Å; F281-A285 WeakPolarHBondContact O-CB 3.39Å; F281-A285 PolarHBondContact O-N 3.17Å; A285-D289 WeakPolarHBondContact O-CB 3.44Å; A285-D289 PolarHBondContact O-N 3.04Å; A285-D289 VanDerWaalsContact O-N 3.14Å
286T98.8Very high96.6Very high0 Ų020.5 Ų20.50%010%0.097CC..Hα-helixtrans-66.1-45.6-179.9-59.80000112.5L67 Y139 W227 L282 V283 S284 D289 I290L67-T286 HydrophobicContact CD1-CG2 3.87Å; L67-T286 HydrophobicContact CD2-CG2 4.21Å; L67-T286 HydrophobicContact CG-CG2 4.06Å; Y139-T286 HydrophobicContact CD1-CG2 3.56Å; Y139-T286 HydrophobicContact CD2-CG2 3.67Å; Y139-T286 HydrophobicContact CE1-CG2 3.96Å; Y139-T286 HydrophobicContact CE2-CG2 4.09Å; Y139-T286 HydrophobicContact CG-CG2 3.39Å; W227-T286 PolarHBondContact NE1-OG1 3.08Å; L282-T286 WeakPolarHBondContact O-CB 3.49Å; L282-T286 PolarHBondContact O-N 2.91Å; L282-T286 VanDerWaalsContact O-N 3.11Å; L282-T286 PolarHBondContact O-OG1 2.8Å; V283-T286 PolarHBondContact O-N 2.99Å; S284-T286 VanDerWaalsContact C-N 3.31Å; S284-T286 PolarHBondContact O-N 3.18Å; T286-D289 PolarHBondContact O-N 3.47Å; T286-I290 HydrophobicContact CG2-CD1 3.71Å; T286-I290 HydrophobicContact CG2-CG1 4.32Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.14Å; T286-I290 PolarHBondContact O-N 2.83Å
287L98.7Very high96Very high1 Ų123.4 Ų23.41%0.00512%0.117CC..Hα-helixtrans-67.1-41.1-179.3-74170.5000112.4V283 S284 D289 I290 L291 I312 A322 E325 L326 I329 F349V283-L287 WeakPolarHBondContact O-CB 3.27Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.47Å; V283-L287 PolarHBondContact O-N 3.32Å; S284-L287 PolarHBondContact O-N 3.49Å; L287-D289 PolarHBondContact O-N 2.7Å; L287-I290 PolarHBondContact O-N 3.36Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.43Å; L287-I312 HydrophobicContact CD2-CD1 3.49Å; L287-I312 VanDerWaalsContact CD2-CD1 3.49Å; L287-A322 HydrophobicContact CD1-CB 4.06Å; L287-A322 WeakPolarHBondContact CD1-O 3.48Å; L287-E325 HydrophobicContact CD1-CB 3.74Å; L287-E325 HydrophobicContact CD1-CG 3.58Å; L287-L326 HydrophobicContact CD1-CB 4.15Å; L287-L326 HydrophobicContact CD2-CB 4.41Å; L287-L326 HydrophobicContact CD2-CD1 4.48Å; L287-I329 HydrophobicContact CB-CD1 4.08Å; L287-F349 HydrophobicContact CD2-CZ 4.3Å
288Q98.5Very high95.5Very high50 Ų5023.2 Ų23.223%0.23412%0.116CC..Hα-helixtrans-58-40.3173.3-72.1176.65900111.4R180 I181 S284 Y292 I329R180-Q288 HydrophobicContact CG-CB 4.23Å; I181-Q288 PolarHBondContact O-NE2 3.33Å; I181-Q288 PolarHBondContact O-OE1 2.88Å; S284-Q288 WeakPolarHBondContact O-CB 3.36Å; S284-Q288 VanDerWaalsContact O-CG 3.25Å; S284-Q288 WeakPolarHBondContact O-CG 3.41Å; S284-Q288 PolarHBondContact O-N 3.18Å; S284-Q288 VanDerWaalsContact O-N 3.08Å; S284-Q288 PolarHBondContact O-NE2 2.89Å; S284-Q288 PolarHBondContact OG-NE2 2.77Å; Q288-Y292 VanDerWaalsContact O-CB 3.26Å; Q288-Y292 WeakPolarHBondContact O-CB 3.42Å; Q288-Y292 PolarHBondContact O-N 3.11Å; Q288-I329 HydrophobicContact CG-CD1 4.42Å
289D98.1Very high94.7Very high1 Ų128.5 Ų28.51%0.00515%0.15CC..Hα-helixtrans-71.3-44.2179.9-170.755.4000113.1Y139 R180 R225 W227 A285 T286 L287 L291 Y292 Q293Y139-D289 PolarHBondContact OH-OD2 3.26Å; R180-D289 IonicContact CZ-OD1 2.85Å; R180-D289 IonicContact NE-OD1 3.95Å; R180-D289 IonicContact NH2-OD1 3.93Å; R180-D289 PolarHBondContact NH2-OD1 3.29Å; R225-D289 IonicContact CZ-OD2 2.87Å; R225-D289 IonicContact NE-OD2 3.45Å; R225-D289 IonicContact NH1-OD1 3.45Å; R225-D289 PolarHBondContact NH1-OD1 2.71Å; R225-D289 IonicContact NH1-OD2 3.71Å; R225-D289 PolarHBondContact NH1-OD2 3.26Å; W227-D289 HydrophobicContact CH2-CB 3.86Å; W227-D289 HydrophobicContact CZ2-CB 3.84Å; A285-D289 WeakPolarHBondContact O-CB 3.44Å; A285-D289 PolarHBondContact O-N 3.04Å; A285-D289 VanDerWaalsContact O-N 3.14Å; T286-D289 PolarHBondContact O-N 3.47Å; L287-D289 PolarHBondContact O-N 2.7Å; D289-L291 VanDerWaalsContact C-N 3.35Å; D289-L291 PolarHBondContact O-N 2.91Å; D289-Y292 PolarHBondContact O-N 3.22Å; D289-Q293 WeakPolarHBondContact O-CB 3.37Å; D289-Q293 WeakPolarHBondContact O-CG 3.3Å; D289-Q293 PolarHBondContact O-N 3.39Å
290I97.4Very high94.1Very high4 Ų434.3 Ų34.32%0.02119%0.186CC..Hα-helixtrans-58-47.3173.9-71.3169.3000110.7C65 Y139 T286 L287 Q293 F294 V310 I312C65-I290 HydrophobicContact CB-CD1 3.72Å; Y139-I290 HydrophobicContact CE2-CD1 4.41Å; Y139-I290 HydrophobicContact CE2-CG1 4.34Å; T286-I290 HydrophobicContact CG2-CD1 3.71Å; T286-I290 HydrophobicContact CG2-CG1 4.32Å; T286-I290 VanDerWaalsContact O-CG1 3.31Å; T286-I290 WeakPolarHBondContact O-CG1 3.14Å; T286-I290 PolarHBondContact O-N 2.83Å; L287-I290 PolarHBondContact O-N 3.36Å; I290-Q293 PolarHBondContact O-N 3.4Å; I290-F294 WeakPolarHBondContact O-CB 3.24Å; I290-F294 PolarHBondContact O-N 3.42Å; I290-V310 HydrophobicContact CG2-CG1 3.93Å; I290-V310 HydrophobicContact CG2-CG2 4.21Å; I290-I312 HydrophobicContact CD1-CD1 3.97Å; I290-I312 HydrophobicContact CD1-CG1 4.12Å
291L96.7Very high93.5Very high9 Ų938.3 Ų38.35%0.04720%0.201CC..Hα-helixtrans-67.7-38.1-179.6-69.7171.7000111.9L287 D289 F294 K295 L303 L306 L326 I329L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.45Å; L287-L291 PolarHBondContact O-N 3.43Å; D289-L291 VanDerWaalsContact C-N 3.35Å; D289-L291 PolarHBondContact O-N 2.91Å; L291-F294 PolarHBondContact O-N 2.94Å; L291-K295 WeakPolarHBondContact O-CB 3.38Å; L291-K295 WeakPolarHBondContact O-CG 3.35Å; L291-K295 PolarHBondContact O-N 2.92Å; L291-L303 HydrophobicContact CD2-CD2 4.34Å; L291-L306 HydrophobicContact CD2-CD1 4.36Å; L291-L306 HydrophobicContact CD2-CD2 3.81Å; L291-L326 HydrophobicContact CD1-CD1 4.18Å; L291-L326 HydrophobicContact CD2-CD1 4.42Å; L291-I329 HydrophobicContact CD1-CB 4.18Å; L291-I329 HydrophobicContact CD1-CD1 4.01Å; L291-I329 HydrophobicContact CD1-CG2 3.47Å; L291-I329 VanDerWaalsContact CD1-CG2 3.47Å
292Y94.9Very high93.2Very high133 Ų13344.9 Ų44.952%0.52223%0.232SC..Hα-helixtrans-61.1-46.5173.2176.3-90.8000111.4R180 Q288 D289 K295 S296R180-Y292 VanDerWaalsContact NH2-CG 3.28Å; Q288-Y292 VanDerWaalsContact O-CB 3.26Å; Q288-Y292 WeakPolarHBondContact O-CB 3.42Å; Q288-Y292 PolarHBondContact O-N 3.11Å; D289-Y292 PolarHBondContact O-N 3.22Å; Y292-K295 PolarHBondContact O-N 3.14Å; Y292-S296 VanDerWaalsContact O-CB 3.29Å; Y292-S296 WeakPolarHBondContact O-CB 3.46Å; Y292-S296 PolarHBondContact O-N 3.38Å; Y292-S296 PolarHBondContact O-OG 3.43Å
293Q92Very high92.9Very high50 Ų5045.9 Ų45.923%0.23424%0.237CC..Hα-helixtrans-62.8-46.8177.1-74.4-177.5-14.700111.3D289 I290 K295 S296 S297D289-Q293 WeakPolarHBondContact O-CB 3.37Å; D289-Q293 WeakPolarHBondContact O-CG 3.3Å; D289-Q293 PolarHBondContact O-N 3.39Å; I290-Q293 PolarHBondContact O-N 3.4Å; Q293-K295 PolarHBondContact O-N 3Å; Q293-S296 PolarHBondContact O-N 3.49Å; Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.9Å; Q293-S297 PolarHBondContact O-OG 3.18Å; Q293-S297 VanDerWaalsContact O-OG 3.14Å
294F93.6Very high92.7Very high5 Ų549.6 Ų49.62%0.02225%0.254CS..Hα-helixtrans-55.4-50.9177176.5-94.9000111.4I290 L291 S296 Y298 Y301 L303 E305 L306 K309I290-F294 WeakPolarHBondContact O-CB 3.24Å; I290-F294 PolarHBondContact O-N 3.42Å; L291-F294 PolarHBondContact O-N 2.94Å; F294-S296 VanDerWaalsContact C-N 3.35Å; F294-S296 PolarHBondContact O-N 3.42Å; F294-Y298 AromaticContact CD2-CD2 3.52Å; F294-Y298 HydrophobicContact CD2-CD2 3.52Å; F294-Y298 AromaticContact CD2-CE2 3.95Å; F294-Y298 HydrophobicContact CD2-CE2 3.95Å; F294-Y298 AromaticContact CE2-CD2 3.77Å; F294-Y298 HydrophobicContact CE2-CD2 3.77Å; F294-Y298 HydrophobicContact CE2-CE2 4.39Å; F294-Y298 HydrophobicContact CG-CD2 4.1Å; F294-Y298 WeakPolarHBondContact O-CB 3.49Å; F294-Y298 WeakPolarHBondContact O-CD2 3.41Å; F294-Y298 PolarHBondContact O-N 3.08Å; F294-Y301 HydrophobicContact CZ-CD2 4.49Å; F294-L303 HydrophobicContact CD1-CD2 4.3Å; F294-L303 HydrophobicContact CE1-CD2 4.2Å; F294-E305 HydrophobicContact CZ-CB 4.21Å; F294-L306 HydrophobicContact CB-CD1 4.06Å; F294-L306 HydrophobicContact CD1-CD1 4.24Å; F294-L306 HydrophobicContact CD2-CD1 3.64Å; F294-L306 HydrophobicContact CE2-CB 4.32Å; F294-L306 HydrophobicContact CE2-CD1 4.15Å; F294-L306 HydrophobicContact CG-CD1 3.7Å; F294-L306 HydrophobicContact CZ-CB 4.31Å; F294-K309 HydrophobicContact CD2-CB 4.08Å; F294-K309 HydrophobicContact CE2-CB 3.85Å; F294-K309 HydrophobicContact CE2-CG 4Å
295K92.5Very high92.5Very high85 Ų8553.3 Ų53.337%0.3727%0.271SS..Hα-helixtrans-65.6-35.8179.4-71.2177.7170.4-167.40113.3L291 Y292 Q293 Y298 E334L291-K295 WeakPolarHBondContact O-CB 3.38Å; L291-K295 WeakPolarHBondContact O-CG 3.35Å; L291-K295 PolarHBondContact O-N 2.92Å; Y292-K295 PolarHBondContact O-N 3.14Å; Q293-K295 PolarHBondContact O-N 3Å; K295-Y298 CarbonylContact O-C 3.34Å; K295-E334 IonicContact NZ-OE1 2.69Å; K295-E334 PolarHBondContact NZ-OE1 3.43Å; K295-E334 IonicContact NZ-OE2 3.17Å; K295-E334 PolarHBondContact NZ-OE2 3.02Å
296S88.2Confident92.4Very high64 Ų6453.3 Ų53.345%0.44827%0.271SS..Hα-helixtrans-73.9-41-179.2-580000111.9Y292 Q293 F294Y292-S296 VanDerWaalsContact O-CB 3.29Å; Y292-S296 WeakPolarHBondContact O-CB 3.46Å; Y292-S296 PolarHBondContact O-N 3.38Å; Y292-S296 PolarHBondContact O-OG 3.43Å; Q293-S296 PolarHBondContact O-N 3.49Å; F294-S296 VanDerWaalsContact C-N 3.35Å; F294-S296 PolarHBondContact O-N 3.42Å
297S83.9Confident92.3Very high61 Ų6153.6 Ų53.643%0.42727%0.273SS..Hα-helixtrans-74.6-30.3177.8-61.70000112Q293 P299Q293-S297 WeakPolarHBondContact O-CB 3.23Å; Q293-S297 PolarHBondContact O-N 2.9Å; Q293-S297 PolarHBondContact O-OG 3.18Å; Q293-S297 VanDerWaalsContact O-OG 3.14Å; S297-P299 WeakPolarHBondContact O-CD 3.49Å
298Y84.2Confident92.2Very high23 Ų2357.6 Ų57.69%0.0929%0.294CS..  trans-128.467-172.7-44.7-54.6000112.2D60 F294 K295 T300 Y301 K309D60-Y298 HydrophobicContact CB-CE1 3.89Å; D60-Y298 WeakPolarHBondContact OD1-CE1 3.25Å; D60-Y298 PolarHBondContact OD1-OH 3.44Å; F294-Y298 AromaticContact CD2-CD2 3.52Å; F294-Y298 HydrophobicContact CD2-CD2 3.52Å; F294-Y298 AromaticContact CD2-CE2 3.95Å; F294-Y298 HydrophobicContact CD2-CE2 3.95Å; F294-Y298 AromaticContact CE2-CD2 3.77Å; F294-Y298 HydrophobicContact CE2-CD2 3.77Å; F294-Y298 HydrophobicContact CE2-CE2 4.39Å; F294-Y298 HydrophobicContact CG-CD2 4.1Å; F294-Y298 WeakPolarHBondContact O-CB 3.49Å; F294-Y298 WeakPolarHBondContact O-CD2 3.41Å; F294-Y298 PolarHBondContact O-N 3.08Å; K295-Y298 CarbonylContact O-C 3.34Å; Y298-T300 PolarHBondContact O-N 3.38Å; Y298-T300 VanDerWaalsContact O-N 3.09Å; Y298-Y301 HydrophobicContact CG-CD1 4.43Å; Y298-Y301 HydrophobicContact CG-CD2 4.36Å; Y298-Y301 HydrophobicContact CG-CG 4.25Å; Y298-Y301 PolarHBondContact O-N 2.93Å; Y298-K309 HydrophobicContact CD2-CG 4.49Å; Y298-K309 HydrophobicContact CE2-CB 4.16Å; Y298-K309 HydrophobicContact CE2-CG 4.21Å
299P81.8Confident92Very high111 Ų11156.7 Ų56.772%0.72129%0.29SS*.THydrogen-bonded Turntrans-64.7-18.6-174.726.3-35.4000114S297S297-P299 WeakPolarHBondContact O-CD 3.49Å
300T85.7Confident92Very high123 Ų12357 Ų5776%0.75529%0.292SS*.THydrogen-bonded Turntrans-97.4-3.3177.460.40000113.4Y298Y298-T300 PolarHBondContact O-N 3.38Å; Y298-T300 VanDerWaalsContact O-N 3.09Å
301Y85.3Confident92Very high83 Ų8356.9 Ų56.933%0.32529%0.291SS..  trans-89.6136.5-176.3-79.446.9000110D60 F294 Y298 E305 K309D60-Y301 PolarHBondContact OD2-OH 2.89Å; F294-Y301 HydrophobicContact CZ-CD2 4.49Å; Y298-Y301 HydrophobicContact CG-CD1 4.43Å; Y298-Y301 HydrophobicContact CG-CD2 4.36Å; Y298-Y301 HydrophobicContact CG-CG 4.25Å; Y298-Y301 PolarHBondContact O-N 2.93Å; Y301-E305 HydrophobicContact CD2-CB 3.66Å; Y301-E305 HydrophobicContact CD2-CG 3.97Å; Y301-E305 HydrophobicContact CE2-CB 4.39Å; Y301-K309 HydrophobicContact CD2-CG 4.41Å; Y301-K309 HydrophobicContact CE2-CD 4.4Å; Y301-K309 HydrophobicContact CE2-CG 4.21Å
302E91.9Very high92.1Very high138 Ų13856.5 Ų56.565%0.64529%0.289SS*.  trans-76.3154.3168.4-64.4-62.3153.800110.4F304 E305E302-F304 HydrophobicContact CB-CD2 4.4Å; E302-F304 PolarHBondContact O-N 3.23Å; E302-E305 WeakPolarHBondContact O-CB 3.18Å; E302-E305 PolarHBondContact O-N 2.97Å
303L93.1Very high92.3Very high21 Ų2150.1 Ų50.111%0.1126%0.264CS..G310 helixtrans-59.9-22.3179.4-72.9170.4000113.4L291 F294 E305 L306 L330 E334 M336 I344L291-L303 HydrophobicContact CD2-CD2 4.34Å; F294-L303 HydrophobicContact CD1-CD2 4.3Å; F294-L303 HydrophobicContact CE1-CD2 4.2Å; L303-E305 PolarHBondContact O-N 3.21Å; L303-L306 WeakPolarHBondContact O-CB 3.06Å; L303-L306 PolarHBondContact O-N 3.13Å; L303-L330 HydrophobicContact CD1-CD2 4.05Å; L303-E334 HydrophobicContact CD1-CB 3.73Å; L303-E334 HydrophobicContact CD1-CG 3.63Å; L303-M336 HydrophobicContact CB-SD 4.07Å; L303-M336 HydrophobicContact CD1-SD 3.88Å; L303-I344 HydrophobicContact CB-CD1 4.32Å; L303-I344 WeakPolarHBondContact O-CD1 3.5Å
304F94.6Very high92.6Very high79 Ų7947.8 Ų47.835%0.34625%0.253SS..G310 helixtrans-59.8-22.8173.7-69.8-77.6000114.1E302 L306 P307 M336 D340 I344E302-F304 HydrophobicContact CB-CD2 4.4Å; E302-F304 PolarHBondContact O-N 3.23Å; F304-L306 VanDerWaalsContact C-N 3.32Å; F304-P307 WeakPolarHBondContact O-CD 3.47Å; F304-M336 HydrophobicContact CD1-CE 4.45Å; F304-M336 HydrophobicContact CD2-CE 4.43Å; F304-M336 HydrophobicContact CE1-CE 3.91Å; F304-M336 HydrophobicContact CE2-CE 3.87Å; F304-M336 HydrophobicContact CZ-CE 3.59Å; F304-D340 HydrophobicContact CE1-CB 3.59Å; F304-D340 HydrophobicContact CZ-CB 3.65Å; F304-I344 HydrophobicContact CD1-CD1 4.03Å; F304-I344 HydrophobicContact CD1-CG1 4.21Å; F304-I344 HydrophobicContact CE1-CD1 4.46Å; F304-I344 HydrophobicContact CG-CD1 4.38Å
305E94.9Very high92.8Very high78 Ų7847.5 Ų47.536%0.36425%0.252SS..G310 helixtrans-82.6-8.6176.6-65.4-61.8147.800113F294 Y301 E302 L303 P307 N308 K309F294-E305 HydrophobicContact CZ-CB 4.21Å; Y301-E305 HydrophobicContact CD2-CB 3.66Å; Y301-E305 HydrophobicContact CD2-CG 3.97Å; Y301-E305 HydrophobicContact CE2-CB 4.39Å; E302-E305 WeakPolarHBondContact O-CB 3.18Å; E302-E305 PolarHBondContact O-N 2.97Å; L303-E305 PolarHBondContact O-N 3.21Å; E305-P307 VanDerWaalsContact C-CD 3.49Å; E305-N308 WeakPolarHBondContact O-CA 3.33Å; E305-N308 WeakPolarHBondContact O-CB 3.36Å; E305-N308 PolarHBondContact O-N 2.93Å; E305-N308 PolarHBondContact OE2-ND2 3Å; E305-K309 PolarHBondContact O-N 3.45Å
306L96.5Very high92.9Very high1 Ų144.4 Ų44.41%0.00524%0.239CC..Hα-helixtrans-51.5-46-179-178.370.1000113L291 F294 L303 F304 N308 K309 V310 I344L291-L306 HydrophobicContact CD2-CD1 4.36Å; L291-L306 HydrophobicContact CD2-CD2 3.81Å; F294-L306 HydrophobicContact CB-CD1 4.06Å; F294-L306 HydrophobicContact CD1-CD1 4.24Å; F294-L306 HydrophobicContact CD2-CD1 3.64Å; F294-L306 HydrophobicContact CE2-CB 4.32Å; F294-L306 HydrophobicContact CE2-CD1 4.15Å; F294-L306 HydrophobicContact CG-CD1 3.7Å; F294-L306 HydrophobicContact CZ-CB 4.31Å; L303-L306 WeakPolarHBondContact O-CB 3.06Å; L303-L306 PolarHBondContact O-N 3.13Å; F304-L306 VanDerWaalsContact C-N 3.32Å; L306-N308 PolarHBondContact O-N 3.43Å; L306-K309 CarbonylContact O-C 3.52Å; L306-K309 PolarHBondContact O-N 2.73Å; L306-V310 HydrophobicContact CD1-CB 4.09Å; L306-V310 HydrophobicContact CD1-CG2 3.82Å; L306-V310 PolarHBondContact O-N 3Å; L306-I344 HydrophobicContact CB-CG2 4.32Å; L306-I344 HydrophobicContact CD2-CG2 4.03Å
307P96.7Very high93.3Very high6 Ų641.6 Ų41.64%0.03922%0.219CC..Hα-helixtrans-67.4-18.3179.6-20.335.3000114.3K62 F304 E305 I344 R347K62-P307 WeakPolarHBondContact CE-O 3.47Å; K62-P307 PolarHBondContact NZ-O 2.72Å; F304-P307 WeakPolarHBondContact O-CD 3.47Å; E305-P307 VanDerWaalsContact C-CD 3.49Å; P307-I344 HydrophobicContact CG-CB 4.45Å; P307-I344 HydrophobicContact CG-CG2 4.04Å; P307-R347 HydrophobicContact CB-CB 3.72Å; P307-R347 HydrophobicContact CG-CB 3.93Å
308N95.3Very high93.8Very high85 Ų8539.7 Ų39.746%0.45520%0.204SC..Hα-helixtrans-82-23.9175.2-62.6-26.4000111.4K62 E305 L306K62-N308 WeakPolarHBondContact CB-O 3.06Å; K62-N308 WeakPolarHBondContact CD-O 3.45Å; K62-N308 WeakPolarHBondContact CG-O 3.45Å; E305-N308 WeakPolarHBondContact O-CA 3.33Å; E305-N308 WeakPolarHBondContact O-CB 3.36Å; E305-N308 PolarHBondContact O-N 2.93Å; E305-N308 PolarHBondContact OE2-ND2 3Å; L306-N308 PolarHBondContact O-N 3.43Å
309K95.6Very high94.5Very high30 Ų3038.6 Ų38.613%0.1320%0.199CC..Hα-helixtrans-108.8-17.1-177.1-63.1-56.6-169.3169.10114.8D60 K62 M63 F294 Y298 Y301 E305 L306D60-K309 PolarHBondContact O-NZ 3.21Å; D60-K309 VanDerWaalsContact O-NZ 3.1Å; D60-K309 WeakPolarHBondContact OD1-CD 3.49Å; D60-K309 WeakPolarHBondContact OD1-CE 3.38Å; D60-K309 IonicContact OD1-NZ 3.69Å; D60-K309 PolarHBondContact OD1-NZ 3.41Å; D60-K309 WeakPolarHBondContact OD2-CE 3.33Å; D60-K309 IonicContact OD2-NZ 2.75Å; D60-K309 PolarHBondContact OD2-NZ 2.76Å; K62-K309 CarbonylContact C-O 3.57Å; K62-K309 VanDerWaalsContact CA-O 3.31Å; K62-K309 WeakPolarHBondContact CA-O 2.86Å; M63-K309 PolarHBondContact N-O 2.84Å; F294-K309 HydrophobicContact CD2-CB 4.08Å; F294-K309 HydrophobicContact CE2-CB 3.85Å; F294-K309 HydrophobicContact CE2-CG 4Å; Y298-K309 HydrophobicContact CD2-CG 4.49Å; Y298-K309 HydrophobicContact CE2-CB 4.16Å; Y298-K309 HydrophobicContact CE2-CG 4.21Å; Y301-K309 HydrophobicContact CD2-CG 4.41Å; Y301-K309 HydrophobicContact CE2-CD 4.4Å; Y301-K309 HydrophobicContact CE2-CG 4.21Å; E305-K309 PolarHBondContact O-N 3.45Å; L306-K309 CarbonylContact O-C 3.52Å; L306-K309 PolarHBondContact O-N 2.73Å
310V97.1Very high95.3Very high9 Ų933.3 Ų33.36%0.05517%0.165CC..EExtended strand (participates in β ladder)trans-138.5141.4-179.5-176.40000109.9M63 I290 L306 I312 V348M63-V310 WeakPolarHBondContact O-CA 3.42Å; I290-V310 HydrophobicContact CG2-CG1 3.93Å; I290-V310 HydrophobicContact CG2-CG2 4.21Å; L306-V310 HydrophobicContact CD1-CB 4.09Å; L306-V310 HydrophobicContact CD1-CG2 3.82Å; L306-V310 PolarHBondContact O-N 3Å; V310-I312 HydrophobicContact CG1-CG1 3.91Å; V310-V348 WeakPolarHBondContact O-CG2 3.41Å
311V98.4Very high95.9Very high0 Ų027.5 Ų27.50%013%0.13CC..EExtended strand (participates in β ladder)trans-123.5131.6160.660.20000109M63 V64 C65 T350 W803 V805M63-V311 PolarHBondContact O-N 2.99Å; V64-V311 HydrophobicContact CB-CG1 4.27Å; V64-V311 HydrophobicContact CG1-CG1 4.38Å; V64-V311 HydrophobicContact CG2-CG1 3.96Å; C65-V311 PolarHBondContact N-O 3.07Å; V311-T350 HydrophobicContact CG2-CG2 3.95Å; V311-W803 HydrophobicContact CG1-CB 3.87Å; V311-W803 HydrophobicContact CG1-CG 3.97Å; V311-W803 HydrophobicContact CG2-CG 4.49Å; V311-V805 HydrophobicContact CG1-CG2 4.36Å
312I98.7Very high96.5Very high1 Ų123.6 Ų23.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-106.2115179.1-55.3175.7000108C65 L67 L287 I290 V310 V348 F349 T350C65-I312 HydrophobicContact CB-CG1 4.32Å; C65-I312 WeakPolarHBondContact O-CA 3.41Å; L67-I312 HydrophobicContact CD1-CG2 3.65Å; L67-I312 HydrophobicContact CD2-CG2 3.88Å; L67-I312 HydrophobicContact CG-CG2 4.36Å; L287-I312 HydrophobicContact CD2-CD1 3.49Å; L287-I312 VanDerWaalsContact CD2-CD1 3.49Å; I290-I312 HydrophobicContact CD1-CD1 3.97Å; I290-I312 HydrophobicContact CD1-CG1 4.12Å; V310-I312 HydrophobicContact CG1-CG1 3.91Å; I312-V348 HydrophobicContact CD1-CG1 4.39Å; I312-V348 HydrophobicContact CD1-CG2 4.19Å; I312-V348 HydrophobicContact CG1-CG2 4.05Å; I312-V348 PolarHBondContact N-O 3.4Å; I312-F349 HydrophobicContact CB-CD1 3.66Å; I312-F349 HydrophobicContact CB-CE1 3.69Å; I312-F349 HydrophobicContact CD1-CE1 3.85Å; I312-F349 HydrophobicContact CD1-CZ 4.2Å; I312-F349 HydrophobicContact CG1-CE1 4.36Å; I312-F349 HydrophobicContact CG2-CD1 3.79Å; I312-F349 HydrophobicContact CG2-CE1 3.57Å; I312-F349 WeakPolarHBondContact O-CA 3.38Å; I312-T350 PolarHBondContact O-N 3.43Å
313H98.7Very high96.8Very high0 Ų017 Ų170%08%0.083CC..EExtended strand (participates in β ladder)trans-98.8116.7-179-164.175.6000110.5C65 F66 L67 T350 T352 Y798 W803C65-H313 PolarHBondContact O-N 2.58Å; F66-H313 HydrophobicContact CD2-CB 4.04Å; F66-H313 AromaticContact CD2-CD2 3.64Å; F66-H313 AromaticContact CE2-CD2 3.25Å; F66-H313 WeakPolarHBondContact CE2-CD2 3.26Å; F66-H313 AromaticContact CE2-NE2 4Å; L67-H313 PolarHBondContact N-O 3.17Å; H313-T350 PolarHBondContact ND1-OG1 2.96Å; H313-T352 PolarHBondContact CE1-OG1 3.48Å; H313-T352 PolarHBondContact NE2-OG1 3.05Å; H313-Y798 AromaticContact CE1-CE1 3.57Å; H313-Y798 AromaticContact NE2-CE1 3.91Å; H313-W803 HydrophobicContact CB-CZ2 4.5Å; H313-W803 AromaticContact CG-NE1 3.71Å; H313-W803 AromaticContact ND1-NE1 3.23Å; H313-W803 PolarHBondContact ND1-NE1 2.93Å
314I98.5Very high97.1Very high0 Ų016 Ų160%08%0.078CC..EExtended strand (participates in β ladder)trans-90.1105.4179.4-55-178.3000108.1D316 P319 I323 F349 T350 H351 T352I314-D316 WeakPolarHBondContact CG2-O 3.44Å; I314-D316 PolarHBondContact O-N 3Å; I314-P319 HydrophobicContact CB-CG 4.4Å; I314-P319 HydrophobicContact CG2-CB 3.87Å; I314-P319 HydrophobicContact CG2-CG 3.55Å; I314-I323 HydrophobicContact CD1-CD1 3.99Å; I314-I323 HydrophobicContact CD1-CG1 4.09Å; I314-F349 HydrophobicContact CD1-CB 4.29Å; I314-F349 HydrophobicContact CD1-CD1 3.73Å; I314-F349 HydrophobicContact CD1-CE1 4.36Å; I314-F349 HydrophobicContact CD1-CG 4.16Å; I314-F349 HydrophobicContact CG1-CD1 3.93Å; I314-T350 PolarHBondContact N-O 3.39Å; I314-H351 HydrophobicContact CB-CB 4.5Å; I314-T352 PolarHBondContact O-N 3.43Å
315N97Very high97.3Very high0 Ų012.2 Ų12.20%06%0.062CC..EExtended strand (participates in β ladder)trans-85.2106.7177.1-168.336000110.5F66 L67 S68 L118 H354F66-N315 HydrophobicContact CE1-CB 3.72Å; F66-N315 HydrophobicContact CZ-CB 3.81Å; L67-N315 WeakPolarHBondContact O-CB 3.42Å; L67-N315 PolarHBondContact O-N 2.87Å; S68-N315 PolarHBondContact OG-ND2 2.72Å; L118-N315 WeakPolarHBondContact CD1-ND2 3.22Å; L118-N315 WeakPolarHBondContact CD1-OD1 3.2Å; N315-H354 PolarHBondContact OD1-NE2 2.87Å
316D94.8Very high97.5Very high20 Ų208.6 Ų8.611%0.1075%0.045CC..SBendtrans64.4-167.8-168.8-148.4-24.8000112.4L118 I314 H318 P319 H351 T352L118-D316 HydrophobicContact CD1-CB 4.13Å; L118-D316 HydrophobicContact CD2-CB 4.22Å; I314-D316 WeakPolarHBondContact CG2-O 3.44Å; I314-D316 PolarHBondContact O-N 3Å; D316-H318 IonicContact OD2-CE1 3.33Å; D316-P319 WeakPolarHBondContact O-CD 3.33Å; D316-H351 PolarHBondContact O-CE1 3.1Å; D316-H351 PolarHBondContact O-ND1 2.85Å; D316-T352 VanDerWaalsContact CA-O 3.24Å; D316-T352 WeakPolarHBondContact CA-O 3.08Å; D316-T352 PolarHBondContact N-O 3.46Å
317T96.6Very high97.6Very high4 Ų48.5 Ų8.53%0.0254%0.044CC..SBendtrans-88.5-7.5-177.453.20000114.6A320 K362 M418 D419T317-A320 WeakPolarHBondContact O-CB 3.49Å; T317-A320 PolarHBondContact O-N 3.27Å; T317-K362 VanDerWaalsContact OG1-CB 3.32Å; T317-K362 WeakPolarHBondContact OG1-CB 3.44Å; T317-K362 WeakPolarHBondContact OG1-CD 3.4Å; T317-M418 HydrophobicContact CG2-CB 4.33Å; T317-D419 HydrophobicContact CG2-CB 4.21Å; T317-D419 VanDerWaalsContact CG2-CG 3.44Å; T317-D419 WeakPolarHBondContact CG2-OD1 3.48Å
318H94.9Very high97.7Very high21 Ų219 Ų910%0.0975%0.045CC..THydrogen-bonded Turntrans-55.1-43-179.9-44.992.4000114M69 Y263 E279 D316 A320M69-H318 HydrophobicContact CB-CB 4.14Å; M69-H318 HydrophobicContact CG-CB 3.32Å; Y263-H318 AromaticContact CE1-NE2 3.89Å; E279-H318 WeakPolarHBondContact CB-O 3.4Å; E279-H318 HydrophobicContact CG-CB 4.12Å; E279-H318 VanDerWaalsContact CG-O 3.27Å; E279-H318 WeakPolarHBondContact CG-O 3.33Å; E279-H318 IonicContact OE1-CD2 3.32Å; D316-H318 IonicContact OD2-CE1 3.33Å; H318-A320 VanDerWaalsContact C-N 3.27Å; H318-A320 PolarHBondContact O-N 3.15Å
319P97.9Very high97.8Very high0 Ų05.3 Ų5.30%03%0.026CC..THydrogen-bonded Turntrans-86.615.4176.710.18000113.6L67 V283 I314 D316 L321 A322L67-P319 HydrophobicContact CB-CB 3.91Å; L67-P319 HydrophobicContact CB-CG 4.04Å; L67-P319 HydrophobicContact CD2-CB 4.17Å; V283-P319 HydrophobicContact CG1-CB 3.9Å; I314-P319 HydrophobicContact CB-CG 4.4Å; I314-P319 HydrophobicContact CG2-CB 3.87Å; I314-P319 HydrophobicContact CG2-CG 3.55Å; D316-P319 WeakPolarHBondContact O-CD 3.33Å; P319-L321 PolarHBondContact O-N 3.02Å; P319-L321 VanDerWaalsContact O-N 3.13Å; P319-A322 WeakPolarHBondContact O-CB 3.46Å; P319-A322 PolarHBondContact O-N 2.6Å
320A98.3Very high97.9Very high1 Ų13.9 Ų3.91%0.0082%0.019CC..THydrogen-bonded Turntrans-56.8-31.9-176.200000113.3T317 H318 A322 I323 P324 M418 L421 C422T317-A320 WeakPolarHBondContact O-CB 3.49Å; T317-A320 PolarHBondContact O-N 3.27Å; H318-A320 VanDerWaalsContact C-N 3.27Å; H318-A320 PolarHBondContact O-N 3.15Å; A320-A322 PolarHBondContact O-N 2.88Å; A320-A322 VanDerWaalsContact O-N 3.08Å; A320-I323 PolarHBondContact O-N 3.05Å; A320-I323 VanDerWaalsContact O-N 3.12Å; A320-P324 WeakPolarHBondContact O-CD 3.5Å; A320-M418 HydrophobicContact CB-CB 3.98Å; A320-M418 HydrophobicContact CB-CG 4.44Å; A320-M418 HydrophobicContact CB-SD 3.99Å; A320-L421 HydrophobicContact CB-CD2 4.4Å; A320-C422 WeakPolarHBondContact CB-SG 3.49Å
321L98.7Very high97.9Very high1 Ų15 Ų51%0.0053%0.026CC..THydrogen-bonded Turntrans-64-10.4176.9-68.4173.8000113.8L276 Y280 V283 P319 I323 P324 E325 L369 L373 M418L276-L321 HydrophobicContact CD1-CD1 3.65Å; Y280-L321 HydrophobicContact CD2-CD1 4.47Å; V283-L321 HydrophobicContact CG2-CB 3.93Å; P319-L321 PolarHBondContact O-N 3.02Å; P319-L321 VanDerWaalsContact O-N 3.13Å; L321-I323 PolarHBondContact O-N 3.27Å; L321-P324 HydrophobicContact CD2-CG 4.14Å; L321-P324 VanDerWaalsContact O-CD 3.3Å; L321-P324 WeakPolarHBondContact O-CD 3.48Å; L321-P324 WeakPolarHBondContact O-CG 3.47Å; L321-E325 VanDerWaalsContact O-CB 3.24Å; L321-E325 WeakPolarHBondContact O-CB 3.5Å; L321-E325 PolarHBondContact O-N 3.35Å; L321-L369 HydrophobicContact CD2-CD1 4.3Å; L321-L373 HydrophobicContact CD1-CD1 3.78Å; L321-L373 HydrophobicContact CD2-CD1 4.35Å; L321-M418 HydrophobicContact CD2-CE 4.18Å; L321-M418 HydrophobicContact CD2-SD 4.49Å
322A98.8Very high97.8Very high0 Ų06.4 Ų6.40%03%0.034CC..Hα-helixtrans-59.7-33.2170.700000112L67 V283 L287 P319 A320 L326 F349L67-A322 HydrophobicContact CD2-CB 4.37Å; V283-A322 HydrophobicContact CB-CB 3.93Å; V283-A322 HydrophobicContact CG1-CB 3.85Å; L287-A322 HydrophobicContact CD1-CB 4.06Å; L287-A322 WeakPolarHBondContact CD1-O 3.48Å; P319-A322 WeakPolarHBondContact O-CB 3.46Å; P319-A322 PolarHBondContact O-N 2.6Å; A320-A322 PolarHBondContact O-N 2.88Å; A320-A322 VanDerWaalsContact O-N 3.08Å; A322-L326 WeakPolarHBondContact O-CB 3.35Å; A322-L326 PolarHBondContact O-N 3.38Å; A322-F349 HydrophobicContact CB-CE1 3.58Å; A322-F349 HydrophobicContact CB-CZ 3.8Å; A322-F349 VanDerWaalsContact O-CZ 3.32Å; A322-F349 WeakPolarHBondContact O-CZ 3.39Å
323I98.8Very high97.6Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-61.8-60.7178.7-66.3159.7000110.8I314 A320 L321 E325 L326 M327 W342 F349 I383 L421I314-I323 HydrophobicContact CD1-CD1 3.99Å; I314-I323 HydrophobicContact CD1-CG1 4.09Å; A320-I323 PolarHBondContact O-N 3.05Å; A320-I323 VanDerWaalsContact O-N 3.12Å; L321-I323 PolarHBondContact O-N 3.27Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 3.33Å; I323-L326 PolarHBondContact O-N 2.84Å; I323-M327 PolarHBondContact O-N 3.02Å; I323-W342 HydrophobicContact CG2-CZ3 4.14Å; I323-F349 HydrophobicContact CB-CE2 4.42Å; I323-F349 HydrophobicContact CG1-CD2 3.74Å; I323-F349 HydrophobicContact CG1-CE2 4.01Å; I323-F349 HydrophobicContact CG1-CG 4.08Å; I323-I383 HydrophobicContact CG2-CD1 4.25Å; I323-L421 HydrophobicContact CD1-CG 4.33Å; I323-L421 WeakPolarHBondContact CD1-O 3.34Å; I323-L421 HydrophobicContact CG2-CD1 4.09Å
324P98.7Very high97.4Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-68.2-27.9178.426.7-35.8000113.3A320 L321 R328 H376 I379 I380 L421A320-P324 WeakPolarHBondContact O-CD 3.5Å; L321-P324 HydrophobicContact CD2-CG 4.14Å; L321-P324 VanDerWaalsContact O-CD 3.3Å; L321-P324 WeakPolarHBondContact O-CD 3.48Å; L321-P324 WeakPolarHBondContact O-CG 3.47Å; P324-R328 WeakPolarHBondContact O-CB 3.26Å; P324-R328 PolarHBondContact O-N 2.87Å; P324-H376 HydrophobicContact CB-CB 4.34Å; P324-I379 HydrophobicContact CB-CB 4.37Å; P324-I379 HydrophobicContact CB-CG2 3.82Å; P324-I380 HydrophobicContact CB-CD1 4.4Å; P324-I380 HydrophobicContact CB-CG1 3.9Å; P324-I380 HydrophobicContact CG-CD1 4.16Å; P324-I380 HydrophobicContact CG-CG1 4.07Å; P324-L421 HydrophobicContact CG-CD2 4.29Å
325E98.8Very high97.2Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-68.8-40.9175.5176.363.4175.600112.3Y280 S284 L287 L321 I323 M327 R328 I329 H376Y280-E325 HydrophobicContact CE2-CB 4.2Å; Y280-E325 HydrophobicContact CE2-CG 4.21Å; Y280-E325 WeakPolarHBondContact CE2-OE2 3.36Å; Y280-E325 PolarHBondContact OH-OE1 3.07Å; Y280-E325 PolarHBondContact OH-OE2 3.35Å; S284-E325 WeakPolarHBondContact CB-OE1 3.21Å; S284-E325 PolarHBondContact OG-OE1 3.07Å; L287-E325 HydrophobicContact CD1-CB 3.74Å; L287-E325 HydrophobicContact CD1-CG 3.58Å; L321-E325 VanDerWaalsContact O-CB 3.24Å; L321-E325 WeakPolarHBondContact O-CB 3.5Å; L321-E325 PolarHBondContact O-N 3.35Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 3.33Å; E325-M327 VanDerWaalsContact C-N 3.34Å; E325-R328 WeakPolarHBondContact O-CB 3.42Å; E325-R328 PolarHBondContact O-N 2.92Å; E325-R328 IonicContact OE1-CZ 2.51Å; E325-R328 IonicContact OE1-NE 3.19Å; E325-R328 IonicContact OE1-NH2 3.72Å; E325-R328 PolarHBondContact OE1-NH2 3.05Å; E325-R328 IonicContact OE2-CZ 2.87Å; E325-R328 IonicContact OE2-NE 3.91Å; E325-R328 PolarHBondContact OE2-NE 3.44Å; E325-R328 IonicContact OE2-NH2 3.76Å; E325-R328 PolarHBondContact OE2-NH2 2.97Å; E325-I329 HydrophobicContact CG-CD1 4.16Å; E325-I329 WeakPolarHBondContact O-CG1 3.49Å; E325-I329 PolarHBondContact O-N 3.07Å; E325-H376 IonicContact OE2-CD2 2.6Å; E325-H376 IonicContact OE2-CE1 3.05Å; E325-H376 PolarHBondContact OE2-CE1 3.16Å; E325-H376 IonicContact OE2-NE2 3.07Å; E325-H376 PolarHBondContact OE2-NE2 3.11Å
326L98.7Very high97.1Very high1 Ų119.3 Ų19.31%0.00511%0.105CC..Hα-helixtrans-63.3-44.8174.8-179.560.8000110.4L287 L291 A322 I323 R328 I329 L330 C345 V348 F349L287-L326 HydrophobicContact CD1-CB 4.15Å; L287-L326 HydrophobicContact CD2-CB 4.41Å; L287-L326 HydrophobicContact CD2-CD1 4.48Å; L291-L326 HydrophobicContact CD1-CD1 4.18Å; L291-L326 HydrophobicContact CD2-CD1 4.42Å; A322-L326 WeakPolarHBondContact O-CB 3.35Å; A322-L326 PolarHBondContact O-N 3.38Å; I323-L326 PolarHBondContact O-N 2.84Å; L326-R328 VanDerWaalsContact C-N 3.27Å; L326-R328 PolarHBondContact O-N 2.95Å; L326-I329 PolarHBondContact O-N 2.81Å; L326-L330 HydrophobicContact CD1-CD1 4.08Å; L326-L330 HydrophobicContact CD1-CD2 4.43Å; L326-L330 HydrophobicContact CD1-CG 4.03Å; L326-L330 HydrophobicContact CD2-CD1 4.5Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.27Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 3.02Å; L326-C345 HydrophobicContact CD2-CB 4.39Å; L326-V348 HydrophobicContact CD2-CG1 3.53Å; L326-F349 HydrophobicContact CB-CE2 3.99Å; L326-F349 HydrophobicContact CB-CZ 4Å; L326-F349 HydrophobicContact CD2-CE2 3.57Å; L326-F349 HydrophobicContact CD2-CZ 3.87Å; L326-F349 HydrophobicContact CG-CE2 4.43Å
327M98.4Very high97.1Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-56.4-42.3173.3-74.3-59.3-68.800112.1I323 E325 I329 L330 V331 W338 A341 W342 C345 I379I323-M327 PolarHBondContact O-N 3.02Å; E325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 PolarHBondContact O-N 2.79Å; M327-L330 PolarHBondContact O-N 3.12Å; M327-V331 HydrophobicContact CE-CG2 4.3Å; M327-V331 WeakPolarHBondContact O-CB 3.23Å; M327-V331 WeakPolarHBondContact O-CG2 3.22Å; M327-V331 PolarHBondContact O-N 3.29Å; M327-W338 HydrophobicContact CE-CD2 3.86Å; M327-W338 HydrophobicContact CE-CE3 3.9Å; M327-W338 HydrophobicContact CE-CG 4.49Å; M327-W338 HydrophobicContact CE-CH2 3.98Å; M327-W338 HydrophobicContact CE-CZ2 3.95Å; M327-W338 HydrophobicContact CE-CZ3 3.97Å; M327-A341 HydrophobicContact CE-CB 3.88Å; M327-A341 VanDerWaalsContact SD-C 3.51Å; M327-A341 HydrophobicContact SD-CB 3.95Å; M327-W342 HydrophobicContact CE-CB 3.96Å; M327-W342 HydrophobicContact CE-CE3 4.23Å; M327-W342 HydrophobicContact CG-CE3 4.16Å; M327-W342 HydrophobicContact CG-CZ3 4.49Å; M327-W342 HydrophobicContact SD-CB 4.24Å; M327-W342 HydrophobicContact SD-CE3 3.86Å; M327-C345 HydrophobicContact CG-CB 4.21Å; M327-C345 HydrophobicContact SD-CB 3.7Å; M327-I379 HydrophobicContact CB-CG2 3.67Å; M327-I379 HydrophobicContact CG-CG2 4.34Å
328R98.4Very high97.1Very high16 Ų1625 Ų256%0.0613%0.131CC..Hα-helixtrans-60.7-46.8177.2-167.8-169.164.375.8-0.1111.4P324 E325 L326 D332 R375 I379P324-R328 WeakPolarHBondContact O-CB 3.26Å; P324-R328 PolarHBondContact O-N 2.87Å; E325-R328 WeakPolarHBondContact O-CB 3.42Å; E325-R328 PolarHBondContact O-N 2.92Å; E325-R328 IonicContact OE1-CZ 2.51Å; E325-R328 IonicContact OE1-NE 3.19Å; E325-R328 IonicContact OE1-NH2 3.72Å; E325-R328 PolarHBondContact OE1-NH2 3.05Å; E325-R328 IonicContact OE2-CZ 2.87Å; E325-R328 IonicContact OE2-NE 3.91Å; E325-R328 PolarHBondContact OE2-NE 3.44Å; E325-R328 IonicContact OE2-NH2 3.76Å; E325-R328 PolarHBondContact OE2-NH2 2.97Å; L326-R328 VanDerWaalsContact C-N 3.27Å; L326-R328 PolarHBondContact O-N 2.95Å; R328-D332 HydrophobicContact CG-CB 4.49Å; R328-D332 VanDerWaalsContact CG-OD2 3.28Å; R328-D332 WeakPolarHBondContact CG-OD2 3.43Å; R328-D332 WeakPolarHBondContact O-CA 3.22Å; R328-D332 WeakPolarHBondContact O-CB 3.43Å; R328-D332 PolarHBondContact O-N 2.79Å; R328-R375 HydrophobicContact CG-CG 3.87Å; R328-I379 HydrophobicContact CB-CD1 3.45Å; R328-I379 VanDerWaalsContact CB-CD1 3.45Å; R328-I379 HydrophobicContact CG-CD1 3.91Å
329I98Very high97.1Very high8 Ų829.6 Ų29.64%0.04116%0.156CC..Iπ-helixtrans-64.3-48.7-179.5-64.2165.6000110L287 Q288 L291 E325 L326 M327 V331 I333 E334L287-I329 HydrophobicContact CB-CD1 4.08Å; Q288-I329 HydrophobicContact CG-CD1 4.42Å; L291-I329 HydrophobicContact CD1-CB 4.18Å; L291-I329 HydrophobicContact CD1-CD1 4.01Å; L291-I329 HydrophobicContact CD1-CG2 3.47Å; L291-I329 VanDerWaalsContact CD1-CG2 3.47Å; E325-I329 HydrophobicContact CG-CD1 4.16Å; E325-I329 WeakPolarHBondContact O-CG1 3.49Å; E325-I329 PolarHBondContact O-N 3.07Å; L326-I329 PolarHBondContact O-N 2.81Å; M327-I329 PolarHBondContact O-N 2.79Å; I329-V331 PolarHBondContact O-N 3.49Å; I329-I333 HydrophobicContact CG1-CD1 4.26Å; I329-I333 HydrophobicContact CG2-CB 4.44Å; I329-I333 HydrophobicContact CG2-CD1 4.3Å; I329-I333 WeakPolarHBondContact O-CA 3.48Å; I329-I333 VanDerWaalsContact O-CB 3.27Å; I329-I333 WeakPolarHBondContact O-CB 3.3Å; I329-I333 PolarHBondContact O-N 2.92Å; I329-E334 HydrophobicContact CG2-CG 4.36Å; I329-E334 PolarHBondContact O-N 2.9Å
330L97.6Very high97Very high0 Ų032.9 Ų32.90%017%0.173CC..Iπ-helixtrans-62.8-43.1-178.6-64.2176.4000112.5L303 L326 M327 E334 C335 M336 A341 I344L303-L330 HydrophobicContact CD1-CD2 4.05Å; L326-L330 HydrophobicContact CD1-CD1 4.08Å; L326-L330 HydrophobicContact CD1-CD2 4.43Å; L326-L330 HydrophobicContact CD1-CG 4.03Å; L326-L330 HydrophobicContact CD2-CD1 4.5Å; L326-L330 HydrophobicContact CG-CD1 3.9Å; L326-L330 HydrophobicContact CG-CG 4.27Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 3.02Å; M327-L330 PolarHBondContact O-N 3.12Å; L330-E334 HydrophobicContact CD2-CG 4.48Å; L330-E334 CarbonylContact O-C 3.53Å; L330-E334 WeakPolarHBondContact O-CB 3.38Å; L330-C335 PolarHBondContact O-N 3.31Å; L330-M336 HydrophobicContact CB-SD 4.21Å; L330-M336 HydrophobicContact CD2-SD 3.89Å; L330-M336 HydrophobicContact CG-SD 4.49Å; L330-M336 WeakPolarHBondContact O-CB 3.46Å; L330-M336 PolarHBondContact O-N 3.43Å; L330-A341 HydrophobicContact CB-CB 3.73Å; L330-A341 HydrophobicContact CD1-CB 4.07Å; L330-I344 HydrophobicContact CD1-CB 4.15Å; L330-I344 HydrophobicContact CD1-CD1 4.47Å; L330-I344 HydrophobicContact CD1-CG2 4Å
331V97.1Very high97Very high31 Ų3132.8 Ų32.819%0.18817%0.172CC..Iπ-helixtrans-81.8-50.9-176.9176.50000112M327 I329 C335 W338 A341M327-V331 HydrophobicContact CE-CG2 4.3Å; M327-V331 WeakPolarHBondContact O-CB 3.23Å; M327-V331 WeakPolarHBondContact O-CG2 3.22Å; M327-V331 PolarHBondContact O-N 3.29Å; I329-V331 PolarHBondContact O-N 3.49Å; V331-C335 VanDerWaalsContact O-CA 3.3Å; V331-C335 WeakPolarHBondContact O-CA 3.28Å; V331-C335 PolarHBondContact O-N 2.79Å; V331-W338 HydrophobicContact CG2-CE3 4.2Å; V331-A341 HydrophobicContact CG2-CB 3.77Å
332D96.7Very high97Very high31 Ų3134.4 Ų34.417%0.16618%0.179CC..Iπ-helixtrans-84.4-30.2-169.8-58.6-11.4000112.6R328 R375R328-D332 HydrophobicContact CG-CB 4.49Å; R328-D332 VanDerWaalsContact CG-OD2 3.28Å; R328-D332 WeakPolarHBondContact CG-OD2 3.43Å; R328-D332 WeakPolarHBondContact O-CA 3.22Å; R328-D332 WeakPolarHBondContact O-CB 3.43Å; R328-D332 PolarHBondContact O-N 2.79Å; D332-R375 IonicContact OD1-CZ 2.69Å; D332-R375 IonicContact OD1-NE 3.36Å; D332-R375 PolarHBondContact OD1-NE 3.1Å; D332-R375 IonicContact OD1-NH2 2.66Å; D332-R375 PolarHBondContact OD1-NH2 2.81Å; D332-R375 WeakPolarHBondContact OD2-CG 3.5Å; D332-R375 IonicContact OD2-CZ 3.08Å; D332-R375 IonicContact OD2-NE 2.67Å; D332-R375 PolarHBondContact OD2-NE 2.88Å; D332-R375 IonicContact OD2-NH2 2.76Å
333I95.1Very high96.9Very high97 Ų9737.6 Ų37.650%0.49720%0.195SC..Iπ-helixtrans-102.7-51.2-175.9-55.1178.5000110.6I329 C335I329-I333 HydrophobicContact CG1-CD1 4.26Å; I329-I333 HydrophobicContact CG2-CB 4.44Å; I329-I333 HydrophobicContact CG2-CD1 4.3Å; I329-I333 WeakPolarHBondContact O-CA 3.48Å; I329-I333 VanDerWaalsContact O-CB 3.27Å; I329-I333 WeakPolarHBondContact O-CB 3.3Å; I329-I333 PolarHBondContact O-N 2.92Å; I333-C335 PolarHBondContact O-N 3.08Å
334E94.6Very high96.8Very high60 Ų6037.6 Ų37.628%0.2820%0.195SC..SBendtrans-82.1-4.5-179.9-50.2-63158.800112.8K295 L303 I329 L330 M336K295-E334 IonicContact NZ-OE1 2.69Å; K295-E334 PolarHBondContact NZ-OE1 3.43Å; K295-E334 IonicContact NZ-OE2 3.17Å; K295-E334 PolarHBondContact NZ-OE2 3.02Å; L303-E334 HydrophobicContact CD1-CB 3.73Å; L303-E334 HydrophobicContact CD1-CG 3.63Å; I329-E334 HydrophobicContact CG2-CG 4.36Å; I329-E334 PolarHBondContact O-N 2.9Å; L330-E334 HydrophobicContact CD2-CG 4.48Å; L330-E334 CarbonylContact O-C 3.53Å; L330-E334 WeakPolarHBondContact O-CB 3.38Å; E334-M336 HydrophobicContact CB-CG 4.19Å; E334-M336 PolarHBondContact O-N 3.12Å
335C93.9Very high96.7Very high87 Ų8737.6 Ų37.659%0.58820%0.195SC*.  trans57.232.4177.2-580000113.9L330 V331 I333L330-C335 PolarHBondContact O-N 3.31Å; V331-C335 VanDerWaalsContact O-CA 3.3Å; V331-C335 WeakPolarHBondContact O-CA 3.28Å; V331-C335 PolarHBondContact O-N 2.79Å; I333-C335 PolarHBondContact O-N 3.08Å
336M94.7Very high96.5Very high28 Ų2839 Ų3914%0.13821%0.205CC..  trans-77.2150.3176.7-64.2-170.167.100112.1L303 F304 L330 E334 D340 A341 I344L303-M336 HydrophobicContact CB-SD 4.07Å; L303-M336 HydrophobicContact CD1-SD 3.88Å; F304-M336 HydrophobicContact CD1-CE 4.45Å; F304-M336 HydrophobicContact CD2-CE 4.43Å; F304-M336 HydrophobicContact CE1-CE 3.91Å; F304-M336 HydrophobicContact CE2-CE 3.87Å; F304-M336 HydrophobicContact CZ-CE 3.59Å; L330-M336 HydrophobicContact CB-SD 4.21Å; L330-M336 HydrophobicContact CD2-SD 3.89Å; L330-M336 HydrophobicContact CG-SD 4.49Å; L330-M336 WeakPolarHBondContact O-CB 3.46Å; L330-M336 PolarHBondContact O-N 3.43Å; E334-M336 HydrophobicContact CB-CG 4.19Å; E334-M336 PolarHBondContact O-N 3.12Å; M336-D340 HydrophobicContact CE-CB 3.97Å; M336-A341 HydrophobicContact CB-CB 4.32Å; M336-I344 HydrophobicContact CE-CD1 3.52Å; M336-I344 HydrophobicContact SD-CD1 3.98Å
337D94.7Very high96.5Very high90 Ų9042.8 Ų42.848%0.48122%0.219SC..  trans-61147.4167.6-176.5-94.3000110.7I339 D340 A341D337-I339 VanDerWaalsContact C-N 3.31Å; D337-I339 PolarHBondContact O-N 3.14Å; D337-I339 WeakPolarHBondContact OD1-CB 3.33Å; D337-I339 PolarHBondContact OD1-N 3.49Å; D337-D340 HydrophobicContact CB-CB 4.42Å; D337-D340 PolarHBondContact O-N 2.92Å; D337-A341 WeakPolarHBondContact O-CB 3.31Å; D337-A341 PolarHBondContact O-N 3.33Å
338W95.6Very high96.4Very high52 Ų5242.8 Ų42.820%0.19722%0.219CC..Hα-helixtrans-58.4-41.5-177.9179-84.9000113M327 V331 W342 I379 N382 I383M327-W338 HydrophobicContact CE-CD2 3.86Å; M327-W338 HydrophobicContact CE-CE3 3.9Å; M327-W338 HydrophobicContact CE-CG 4.49Å; M327-W338 HydrophobicContact CE-CH2 3.98Å; M327-W338 HydrophobicContact CE-CZ2 3.95Å; M327-W338 HydrophobicContact CE-CZ3 3.97Å; V331-W338 HydrophobicContact CG2-CE3 4.2Å; W338-W342 VanDerWaalsContact O-CB 3.29Å; W338-W342 WeakPolarHBondContact O-CB 3.4Å; W338-W342 PolarHBondContact O-N 3.31Å; W338-I379 HydrophobicContact CH2-CB 4.36Å; W338-I379 HydrophobicContact CH2-CG2 3.88Å; W338-I379 HydrophobicContact CZ3-CG1 4.35Å; W338-I379 HydrophobicContact CZ3-CG2 4.31Å; W338-N382 HydrophobicContact CH2-CB 3.33Å; W338-N382 HydrophobicContact CZ2-CB 3.43Å; W338-N382 VanDerWaalsContact CZ2-CB 3.43Å; W338-N382 HydrophobicContact CZ3-CB 4.01Å; W338-I383 HydrophobicContact CH2-CG1 4.22Å; W338-I383 HydrophobicContact CZ2-CG1 3.92Å
339I95.8Very high96.4Very high119 Ų11942 Ų4261%0.6122%0.217SC*.Hα-helixtrans-66.7-44.3-176.7-62.4174.5000109.6D337 W342 D343D337-I339 VanDerWaalsContact C-N 3.31Å; D337-I339 PolarHBondContact O-N 3.14Å; D337-I339 WeakPolarHBondContact OD1-CB 3.33Å; D337-I339 PolarHBondContact OD1-N 3.49Å; I339-W342 PolarHBondContact O-N 3.13Å; I339-D343 PolarHBondContact O-N 3.37Å
340D96.6Very high96.5Very high68 Ų6841.7 Ų41.736%0.36422%0.215SC..Hα-helixtrans-65.8-44.4178.9-71.3-18.8000111.8F304 M336 D337 W342 D343 I344F304-D340 HydrophobicContact CE1-CB 3.59Å; F304-D340 HydrophobicContact CZ-CB 3.65Å; M336-D340 HydrophobicContact CE-CB 3.97Å; D337-D340 HydrophobicContact CB-CB 4.42Å; D337-D340 PolarHBondContact O-N 2.92Å; D340-W342 VanDerWaalsContact C-N 3.34Å; D340-W342 PolarHBondContact O-N 3.1Å; D340-D343 PolarHBondContact O-N 3.28Å; D340-I344 PolarHBondContact O-N 3.14Å
341A97.6Very high96.5Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-62.3-40.717500000112M327 L330 V331 M336 D337 I344 C345M327-A341 HydrophobicContact CE-CB 3.88Å; M327-A341 VanDerWaalsContact SD-C 3.51Å; M327-A341 HydrophobicContact SD-CB 3.95Å; L330-A341 HydrophobicContact CB-CB 3.73Å; L330-A341 HydrophobicContact CD1-CB 4.07Å; V331-A341 HydrophobicContact CG2-CB 3.77Å; M336-A341 HydrophobicContact CB-CB 4.32Å; D337-A341 WeakPolarHBondContact O-CB 3.31Å; D337-A341 PolarHBondContact O-N 3.33Å; A341-I344 PolarHBondContact O-N 3.46Å; A341-C345 WeakPolarHBondContact O-CB 3.34Å; A341-C345 PolarHBondContact O-N 2.92Å
342W97.7Very high96.5Very high35 Ų3540.3 Ų40.313%0.13321%0.206CC..Hα-helixtrans-68.1-36.6178.5-176.6-111.6000112.5I323 M327 W338 I339 D340 C345 S346 I383 I424I323-W342 HydrophobicContact CG2-CZ3 4.14Å; M327-W342 HydrophobicContact CE-CB 3.96Å; M327-W342 HydrophobicContact CE-CE3 4.23Å; M327-W342 HydrophobicContact CG-CE3 4.16Å; M327-W342 HydrophobicContact CG-CZ3 4.49Å; M327-W342 HydrophobicContact SD-CB 4.24Å; M327-W342 HydrophobicContact SD-CE3 3.86Å; W338-W342 VanDerWaalsContact O-CB 3.29Å; W338-W342 WeakPolarHBondContact O-CB 3.4Å; W338-W342 PolarHBondContact O-N 3.31Å; I339-W342 PolarHBondContact O-N 3.13Å; D340-W342 VanDerWaalsContact C-N 3.34Å; D340-W342 PolarHBondContact O-N 3.1Å; W342-C345 HydrophobicContact CE3-CB 4.29Å; W342-C345 PolarHBondContact O-N 3.15Å; W342-S346 WeakPolarHBondContact O-CB 3.44Å; W342-S346 PolarHBondContact O-N 2.86Å; W342-S346 PolarHBondContact O-OG 3.08Å; W342-I383 HydrophobicContact CE3-CD1 4.35Å; W342-I383 HydrophobicContact CE3-CG1 4.1Å; W342-I383 HydrophobicContact CH2-CB 4.49Å; W342-I383 HydrophobicContact CH2-CD1 4.22Å; W342-I383 HydrophobicContact CH2-CG1 4.12Å; W342-I383 HydrophobicContact CH2-CG2 3.57Å; W342-I383 HydrophobicContact CZ2-CG2 4.15Å; W342-I383 HydrophobicContact CZ3-CB 4.48Å; W342-I383 HydrophobicContact CZ3-CD1 3.6Å; W342-I383 HydrophobicContact CZ3-CG1 3.64Å; W342-I383 HydrophobicContact CZ3-CG2 4.01Å; W342-I424 HydrophobicContact CH2-CG2 4.1Å; W342-I424 HydrophobicContact CZ2-CG2 3.96Å
343D97.2Very high96.5Very high66 Ų6638.8 Ų38.835%0.35320%0.198SC..Hα-helixtrans-59.5-48.7173.2177.368.8000111.3I339 D340 C345 S346 R347I339-D343 PolarHBondContact O-N 3.37Å; D340-D343 PolarHBondContact O-N 3.28Å; D343-C345 PolarHBondContact O-N 3.44Å; D343-S346 PolarHBondContact O-N 2.8Å; D343-S346 PolarHBondContact O-OG 3.43Å; D343-R347 WeakPolarHBondContact O-CG 3.46Å; D343-R347 PolarHBondContact O-N 3.46Å; D343-R347 IonicContact OD1-NE 2.7Å; D343-R347 PolarHBondContact OD1-NE 3.29Å; D343-R347 IonicContact OD2-CZ 3.4Å; D343-R347 IonicContact OD2-NE 2.68Å; D343-R347 PolarHBondContact OD2-NE 2.9Å; D343-R347 IonicContact OD2-NH2 2.9Å; D343-R347 PolarHBondContact OD2-NH2 3.34Å
344I97.6Very high96.4Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-58.1-50.7174.9-66.4168.5000110.5L303 F304 L306 P307 L330 M336 D340 A341 S346 R347 V348L303-I344 HydrophobicContact CB-CD1 4.32Å; L303-I344 WeakPolarHBondContact O-CD1 3.5Å; F304-I344 HydrophobicContact CD1-CD1 4.03Å; F304-I344 HydrophobicContact CD1-CG1 4.21Å; F304-I344 HydrophobicContact CE1-CD1 4.46Å; F304-I344 HydrophobicContact CG-CD1 4.38Å; L306-I344 HydrophobicContact CB-CG2 4.32Å; L306-I344 HydrophobicContact CD2-CG2 4.03Å; P307-I344 HydrophobicContact CG-CB 4.45Å; P307-I344 HydrophobicContact CG-CG2 4.04Å; L330-I344 HydrophobicContact CD1-CB 4.15Å; L330-I344 HydrophobicContact CD1-CD1 4.47Å; L330-I344 HydrophobicContact CD1-CG2 4Å; M336-I344 HydrophobicContact CE-CD1 3.52Å; M336-I344 HydrophobicContact SD-CD1 3.98Å; D340-I344 PolarHBondContact O-N 3.14Å; A341-I344 PolarHBondContact O-N 3.46Å; I344-S346 PolarHBondContact O-N 2.83Å; I344-R347 PolarHBondContact O-N 3.21Å; I344-V348 PolarHBondContact O-N 3.12Å
345C96.7Very high96Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-58.4-48.4-177.3-174.20000111.8L326 M327 A341 W342 D343 R347 V348 F349L326-C345 HydrophobicContact CD2-CB 4.39Å; M327-C345 HydrophobicContact CG-CB 4.21Å; M327-C345 HydrophobicContact SD-CB 3.7Å; A341-C345 WeakPolarHBondContact O-CB 3.34Å; A341-C345 PolarHBondContact O-N 2.92Å; W342-C345 HydrophobicContact CE3-CB 4.29Å; W342-C345 PolarHBondContact O-N 3.15Å; D343-C345 PolarHBondContact O-N 3.44Å; C345-R347 PolarHBondContact O-N 3.14Å; C345-V348 PolarHBondContact O-N 2.9Å; C345-F349 VanDerWaalsContact O-CD2 3.29Å; C345-F349 WeakPolarHBondContact O-CD2 3.33Å; C345-F349 VanDerWaalsContact SG-CE2 3.55Å
346S94.6Very high95.4Very high29 Ų2930 Ų3020%0.20315%0.149CC..Hα-helixtrans-64.8-28.5-178.370.10000112.9W342 D343 I344 H427W342-S346 WeakPolarHBondContact O-CB 3.44Å; W342-S346 PolarHBondContact O-N 2.86Å; W342-S346 PolarHBondContact O-OG 3.08Å; D343-S346 PolarHBondContact O-N 2.8Å; D343-S346 PolarHBondContact O-OG 3.43Å; I344-S346 PolarHBondContact O-N 2.83Å; S346-H427 VanDerWaalsContact O-CB 3.27Å; S346-H427 WeakPolarHBondContact O-CB 3.44Å; S346-H427 PolarHBondContact O-N 2.85Å; S346-H427 PolarHBondContact O-ND1 3.06Å
347R97.1Very high94.8Very high82 Ų8229.5 Ų29.531%0.30915%0.146SC..Hα-helixtrans-88.1-18.7179.1-66.9-170.2-67.6127.9-1114.6P307 D343 I344 C345 H427P307-R347 HydrophobicContact CB-CB 3.72Å; P307-R347 HydrophobicContact CG-CB 3.93Å; D343-R347 WeakPolarHBondContact O-CG 3.46Å; D343-R347 PolarHBondContact O-N 3.46Å; D343-R347 IonicContact OD1-NE 2.7Å; D343-R347 PolarHBondContact OD1-NE 3.29Å; D343-R347 IonicContact OD2-CZ 3.4Å; D343-R347 IonicContact OD2-NE 2.68Å; D343-R347 PolarHBondContact OD2-NE 2.9Å; D343-R347 IonicContact OD2-NH2 2.9Å; D343-R347 PolarHBondContact OD2-NH2 3.34Å; I344-R347 PolarHBondContact O-N 3.21Å; C345-R347 PolarHBondContact O-N 3.14Å; R347-H427 PolarHBondContact O-CE1 3.39Å; R347-H427 PolarHBondContact O-ND1 3.44Å; R347-H427 VanDerWaalsContact O-ND1 3.09Å
348V97.9Very high94.2Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-88.8-31.9-177.5820000113.2V310 I312 L326 I344 C345V310-V348 WeakPolarHBondContact O-CG2 3.41Å; I312-V348 HydrophobicContact CD1-CG1 4.39Å; I312-V348 HydrophobicContact CD1-CG2 4.19Å; I312-V348 HydrophobicContact CG1-CG2 4.05Å; I312-V348 PolarHBondContact N-O 3.4Å; L326-V348 HydrophobicContact CD2-CG1 3.53Å; I344-V348 PolarHBondContact O-N 3.12Å; C345-V348 PolarHBondContact O-N 2.9Å
349F98.6Very high93.5Very high0 Ų031.8 Ų31.80%016%0.162CC..EExtended strand (participates in β ladder)trans-92.2139.3-172.5-69.1-67.7000114.2L287 I312 I314 A322 I323 L326 C345 S426 H427L287-F349 HydrophobicContact CD2-CZ 4.3Å; I312-F349 HydrophobicContact CB-CD1 3.66Å; I312-F349 HydrophobicContact CB-CE1 3.69Å; I312-F349 HydrophobicContact CD1-CE1 3.85Å; I312-F349 HydrophobicContact CD1-CZ 4.2Å; I312-F349 HydrophobicContact CG1-CE1 4.36Å; I312-F349 HydrophobicContact CG2-CD1 3.79Å; I312-F349 HydrophobicContact CG2-CE1 3.57Å; I312-F349 WeakPolarHBondContact O-CA 3.38Å; I314-F349 HydrophobicContact CD1-CB 4.29Å; I314-F349 HydrophobicContact CD1-CD1 3.73Å; I314-F349 HydrophobicContact CD1-CE1 4.36Å; I314-F349 HydrophobicContact CD1-CG 4.16Å; I314-F349 HydrophobicContact CG1-CD1 3.93Å; A322-F349 HydrophobicContact CB-CE1 3.58Å; A322-F349 HydrophobicContact CB-CZ 3.8Å; A322-F349 VanDerWaalsContact O-CZ 3.32Å; A322-F349 WeakPolarHBondContact O-CZ 3.39Å; I323-F349 HydrophobicContact CB-CE2 4.42Å; I323-F349 HydrophobicContact CG1-CD2 3.74Å; I323-F349 HydrophobicContact CG1-CE2 4.01Å; I323-F349 HydrophobicContact CG1-CG 4.08Å; L326-F349 HydrophobicContact CB-CE2 3.99Å; L326-F349 HydrophobicContact CB-CZ 4Å; L326-F349 HydrophobicContact CD2-CE2 3.57Å; L326-F349 HydrophobicContact CD2-CZ 3.87Å; L326-F349 HydrophobicContact CG-CE2 4.43Å; C345-F349 VanDerWaalsContact O-CD2 3.29Å; C345-F349 WeakPolarHBondContact O-CD2 3.33Å; C345-F349 VanDerWaalsContact SG-CE2 3.55Å; F349-S426 VanDerWaalsContact O-CA 3.28Å; F349-S426 WeakPolarHBondContact O-CA 3.29Å; F349-S426 WeakPolarHBondContact O-CB 3.41Å; F349-H427 PolarHBondContact O-CE1 3.26Å; F349-H427 PolarHBondContact O-N 3.38Å; F349-H427 PolarHBondContact O-ND1 3.01Å
350T98.4Very high93Very high0 Ų029.4 Ų29.40%016%0.155CC..EExtended strand (participates in β ladder)trans-129146.9168.855.60000109V311 I312 H313 I314 H427 F428 I802V311-T350 HydrophobicContact CG2-CG2 3.95Å; I312-T350 PolarHBondContact O-N 3.43Å; H313-T350 PolarHBondContact ND1-OG1 2.96Å; I314-T350 PolarHBondContact N-O 3.39Å; T350-H427 WeakPolarHBondContact CG2-CE1 3.39Å; T350-H427 VanDerWaalsContact CG2-NE2 3.3Å; T350-H427 WeakPolarHBondContact CG2-NE2 3.46Å; T350-F428 HydrophobicContact CG2-CB 4.18Å; T350-F428 HydrophobicContact CG2-CD2 4.47Å; T350-I802 HydrophobicContact CG2-CG2 3.55Å
351H98.2Very high92.7Very high1 Ų127 Ų271%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-129.5128.8-173.616957.4000112.3I314 D316 C422 F428 V429 N430I314-H351 HydrophobicContact CB-CB 4.5Å; D316-H351 PolarHBondContact O-CE1 3.1Å; D316-H351 PolarHBondContact O-ND1 2.85Å; H351-C422 HydrophobicContact CB-CB 4.2Å; H351-F428 PolarHBondContact N-O 3.48Å; H351-V429 CarbonylContact O-C 3.43Å; H351-V429 VanDerWaalsContact O-CA 3.28Å; H351-V429 WeakPolarHBondContact O-CA 3.44Å; H351-N430 PolarHBondContact O-N 2.93Å; H351-N430 PolarHBondContact O-OD1 3.23Å
352T97.8Very high92.5Very high1 Ų128.3 Ų28.31%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-101124.4167.3-64.90000110H313 I314 D316 H354 N430 V432 Y798H313-T352 PolarHBondContact CE1-OG1 3.48Å; H313-T352 PolarHBondContact NE2-OG1 3.05Å; I314-T352 PolarHBondContact O-N 3.43Å; D316-T352 VanDerWaalsContact CA-O 3.24Å; D316-T352 WeakPolarHBondContact CA-O 3.08Å; D316-T352 PolarHBondContact N-O 3.46Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.44Å; T352-N430 WeakPolarHBondContact CG2-ND2 3.39Å; T352-N430 PolarHBondContact OG1-ND2 2.92Å; T352-N430 VanDerWaalsContact OG1-ND2 3.08Å; T352-N430 PolarHBondContact OG1-OD1 3.45Å; T352-N430 VanDerWaalsContact OG1-OD1 3.07Å; T352-V432 HydrophobicContact CG2-CG1 3.48Å; T352-V432 VanDerWaalsContact CG2-CG1 3.48Å; T352-Y798 PolarHBondContact OG1-OH 3.43Å; T352-Y798 VanDerWaalsContact OG1-OH 3.05Å
353N96Very high92.3Very high0 Ų029.8 Ų29.80%015%0.154CC..  trans-94.7128.4173.8-173.9-81000110.8V355 D419 N430 Q436 L440N353-V355 WeakPolarHBondContact OD1-CA 3.43Å; N353-V355 PolarHBondContact OD1-N 2.81Å; N353-V355 PolarHBondContact OD1-O 3.47Å; N353-V355 VanDerWaalsContact OD1-O 3.07Å; N353-D419 PolarHBondContact ND2-OD1 3.47Å; N353-N430 PolarHBondContact N-O 3.2Å; N353-Q436 PolarHBondContact O-NE2 3Å; N353-Q436 PolarHBondContact OD1-NE2 3.41Å; N353-L440 HydrophobicContact CB-CD1 4.11Å; N353-L440 WeakPolarHBondContact OD1-CD2 3.48Å
354H93.2Very high92.3Very high32 Ų3226.9 Ų26.915%0.14814%0.138CC..  trans-107.14.3178.1-68-93000113.3L118 L121 N315 T352 A651L118-H354 WeakPolarHBondContact CD1-CD2 3.47Å; L118-H354 VanDerWaalsContact CD1-NE2 3.3Å; L118-H354 WeakPolarHBondContact CD1-NE2 3.44Å; L121-H354 VanDerWaalsContact CD2-CE1 3.48Å; L121-H354 WeakPolarHBondContact CD2-CE1 3.29Å; N315-H354 PolarHBondContact OD1-NE2 2.87Å; T352-H354 WeakPolarHBondContact CG2-NE2 3.44Å; H354-A651 VanDerWaalsContact O-CB 3.27Å; H354-A651 WeakPolarHBondContact O-CB 3.3Å
355V86Confident92.2Very high12 Ų1227.7 Ų27.77%0.07314%0.143CC..  trans-90.9142-174.31790000110.2N353 Q357 C360 L361 Q436N353-V355 WeakPolarHBondContact OD1-CA 3.43Å; N353-V355 PolarHBondContact OD1-N 2.81Å; N353-V355 PolarHBondContact OD1-O 3.47Å; N353-V355 VanDerWaalsContact OD1-O 3.07Å; V355-Q357 WeakPolarHBondContact CG1-O 3.43Å; V355-C360 HydrophobicContact CG1-CB 3.55Å; V355-C360 HydrophobicContact CG2-CB 4.49Å; V355-L361 HydrophobicContact CG1-CD2 4.12Å; V355-Q436 PolarHBondContact O-NE2 3.28Å
356S82Confident92.3Very high16 Ų1629.1 Ų29.111%0.11215%0.15CC..  trans-116.2-16.8177.351.40000113H439 T649S356-H439 PolarHBondContact O-CD2 3.45Å; S356-H439 PolarHBondContact O-NE2 3.03Å; S356-T649 PolarHBondContact OG-O 3.25Å
357Q81.1Confident92.4Very high17 Ų1733.4 Ų33.48%0.07917%0.171CC..SBendtrans-131.3146.8-172.6-52.9-165.8-74.600111.5V355 E359 C360V355-Q357 WeakPolarHBondContact CG1-O 3.43Å; Q357-E359 VanDerWaalsContact C-N 3.29Å; Q357-E359 HydrophobicContact CB-CG 3.98Å; Q357-E359 PolarHBondContact O-N 3.34Å; Q357-C360 WeakPolarHBondContact O-CB 3.31Å; Q357-C360 PolarHBondContact O-N 2.88Å
358V82.7Confident92.4Very high82 Ų8229.6 Ų29.650%0.49716%0.156SC..G310 helixtrans-59.6-40.7-179.8-178.90000111.3C360 L361 L444V358-C360 PolarHBondContact O-N 2.73Å; V358-C360 VanDerWaalsContact O-N 3.07Å; V358-L361 HydrophobicContact CG1-CD1 4.15Å; V358-L361 WeakPolarHBondContact O-CB 3.15Å; V358-L361 WeakPolarHBondContact O-CG 3.29Å; V358-L361 PolarHBondContact O-N 2.92Å; V358-L444 HydrophobicContact CB-CD2 4.47Å; V358-L444 HydrophobicContact CG2-CD2 3.38Å
359E81.3Confident92.4Very high108 Ų10829.6 Ų29.651%0.50516%0.156SC..G310 helixtrans-63.3-12.4177.954.8-103.5-127.400114.9Q357 K748Q357-E359 VanDerWaalsContact C-N 3.29Å; Q357-E359 HydrophobicContact CB-CG 3.98Å; Q357-E359 PolarHBondContact O-N 3.34Å; E359-K748 WeakPolarHBondContact OE1-CE 3.31Å; E359-K748 IonicContact OE1-NZ 3.66Å; E359-K748 PolarHBondContact OE1-NZ 3.29Å
360C84.5Confident92.3Very high68 Ų6833.6 Ų33.646%0.45918%0.175SC..G310 helixtrans-101.6-1.6177.7-66.70000112.5V355 Q357 V358V355-C360 HydrophobicContact CG1-CB 3.55Å; V355-C360 HydrophobicContact CG2-CB 4.49Å; Q357-C360 WeakPolarHBondContact O-CB 3.31Å; Q357-C360 PolarHBondContact O-N 2.88Å; V358-C360 PolarHBondContact O-N 2.73Å; V358-C360 VanDerWaalsContact O-N 3.07Å
361L91Very high92.2Very high18 Ų1837.9 Ų37.99%0.09419%0.191CC..SBendtrans-66146.1173-64.7175.7000110.1V355 V358 Y363 D419 F445V355-L361 HydrophobicContact CG1-CD2 4.12Å; V358-L361 HydrophobicContact CG1-CD1 4.15Å; V358-L361 WeakPolarHBondContact O-CB 3.15Å; V358-L361 WeakPolarHBondContact O-CG 3.29Å; V358-L361 PolarHBondContact O-N 2.92Å; L361-Y363 HydrophobicContact CB-CE2 3.73Å; L361-Y363 WeakPolarHBondContact CD1-OH 3.44Å; L361-Y363 WeakPolarHBondContact O-CD2 3.47Å; L361-D419 HydrophobicContact CD2-CB 4.17Å; L361-D419 VanDerWaalsContact CD2-CG 3.46Å; L361-F445 HydrophobicContact CD2-CE1 4.27Å; L361-F445 HydrophobicContact CD2-CZ 3.69Å
362K92.9Very high92.2Very high28 Ų2837.8 Ų37.812%0.12219%0.191CC..  trans-97.4124.3-170.8-170.5175.9-164.3172.60112.4E279 T317 M418 D419E279-K362 IonicContact OE1-NZ 3.8Å; E279-K362 PolarHBondContact OE1-NZ 3.39Å; E279-K362 IonicContact OE2-NZ 3.76Å; E279-K362 PolarHBondContact OE2-NZ 3.31Å; T317-K362 VanDerWaalsContact OG1-CB 3.32Å; T317-K362 WeakPolarHBondContact OG1-CB 3.44Å; T317-K362 WeakPolarHBondContact OG1-CD 3.4Å; K362-M418 HydrophobicContact CB-CB 4.28Å; K362-M418 HydrophobicContact CD-CB 4.48Å; K362-M418 HydrophobicContact CD-CG 4.49Å; K362-M418 HydrophobicContact CG-CB 4.44Å; K362-M418 HydrophobicContact CG-CG 4.42Å; K362-M418 PolarHBondContact O-N 3.43Å; K362-D419 PolarHBondContact N-OD2 2.71Å
363Y94.7Very high92.3Very high66 Ų6637.8 Ų37.826%0.25919%0.191SC..EExtended strand (participates in β ladder)trans-125.7138.3178.1-57.1-74.8000111L361 I411 V415 V416L361-Y363 HydrophobicContact CB-CE2 3.73Å; L361-Y363 WeakPolarHBondContact CD1-OH 3.44Å; L361-Y363 WeakPolarHBondContact O-CD2 3.47Å; Y363-I411 HydrophobicContact CD1-CD1 3.78Å; Y363-I411 HydrophobicContact CD2-CD1 3.73Å; Y363-I411 HydrophobicContact CE1-CD1 3.52Å; Y363-I411 HydrophobicContact CE2-CD1 3.46Å; Y363-I411 VanDerWaalsContact CE2-CD1 3.46Å; Y363-I411 HydrophobicContact CG-CD1 3.87Å; Y363-V415 HydrophobicContact CD1-CB 4.5Å; Y363-V415 HydrophobicContact CD1-CG2 3.74Å; Y363-V415 HydrophobicContact CG-CG2 4.09Å; Y363-V416 WeakPolarHBondContact CA-O 3.47Å
364W96.2Very high92.4Very high5 Ų538.7 Ų38.72%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-110.7132.3168.3-73105.2000110.2K272 Q275 L276 L366 M368 V415 V416 M418K272-W364 HydrophobicContact CB-CZ3 4.18Å; K272-W364 VanDerWaalsContact O-CH2 3.32Å; K272-W364 WeakPolarHBondContact O-CH2 3.48Å; K272-W364 WeakPolarHBondContact O-CZ3 3.41Å; Q275-W364 HydrophobicContact CB-CH2 4Å; Q275-W364 HydrophobicContact CG-CH2 3.96Å; Q275-W364 HydrophobicContact CG-CZ2 4.27Å; L276-W364 HydrophobicContact CB-CD2 4.41Å; L276-W364 HydrophobicContact CB-CE3 4.18Å; L276-W364 HydrophobicContact CB-CH2 3.78Å; L276-W364 HydrophobicContact CB-CZ2 3.99Å; L276-W364 HydrophobicContact CB-CZ3 3.88Å; L276-W364 HydrophobicContact CD1-CD2 4.11Å; L276-W364 HydrophobicContact CD1-CG 4.41Å; L276-W364 HydrophobicContact CD1-CZ2 4.34Å; W364-L366 PolarHBondContact O-N 3.07Å; W364-M368 HydrophobicContact CE3-SD 4.05Å; W364-M368 HydrophobicContact CZ3-SD 4.15Å; W364-V415 CarbonylContact O-C 3.56Å; W364-V415 VanDerWaalsContact O-CA 3.26Å; W364-V415 WeakPolarHBondContact O-CA 3.32Å; W364-V415 WeakPolarHBondContact O-CB 3.46Å; W364-V416 PolarHBondContact N-O 3Å; W364-V416 VanDerWaalsContact N-O 3.08Å; W364-V416 PolarHBondContact O-N 2.92Å; W364-M418 HydrophobicContact CB-CE 4.16Å; W364-M418 HydrophobicContact CG-CE 4.03Å
365P96.4Very high92.6Very high17 Ų1737.5 Ų37.511%0.1119%0.191CC..EExtended strand (participates in β ladder)trans-55.3129.9171-24.334.4000110.4D367 M368 L369P365-D367 VanDerWaalsContact C-N 3.28Å; P365-D367 PolarHBondContact O-N 2.94Å; P365-M368 HydrophobicContact CB-CB 4.19Å; P365-M368 PolarHBondContact O-N 3.21Å; P365-L369 PolarHBondContact O-N 3.32Å
366L97.8Very high93.2Very high30 Ų3036.9 Ų36.916%0.15719%0.187CC..Hα-helixtrans-60.1-40.4-174.7177.256.8000111.8W364 L369 Q370 V377 F408 P414 V416W364-L366 PolarHBondContact O-N 3.07Å; L366-L369 PolarHBondContact O-N 3.03Å; L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.26Å; L366-Q370 PolarHBondContact O-N 3.35Å; L366-V377 HydrophobicContact CD1-CG1 3.82Å; L366-V377 HydrophobicContact CD1-CG2 4.49Å; L366-F408 HydrophobicContact CD1-CD1 4.17Å; L366-F408 HydrophobicContact CD1-CE1 3.69Å; L366-F408 HydrophobicContact CD2-CD1 4.28Å; L366-F408 HydrophobicContact CD2-CE1 4.44Å; L366-P414 HydrophobicContact CB-CB 4.12Å; L366-P414 WeakPolarHBondContact CB-O 3.42Å; L366-P414 HydrophobicContact CD2-CB 4.14Å; L366-P414 PolarHBondContact N-O 2.83Å; L366-V416 HydrophobicContact CD1-CG2 3.94Å
367D96.8Very high94Very high118 Ų11836.1 Ų36.163%0.63118%0.182SC*.Hα-helixtrans-60.5-45.9178-179.866.9000112P365 L369 Q370 R371P365-D367 VanDerWaalsContact C-N 3.28Å; P365-D367 PolarHBondContact O-N 2.94Å; D367-L369 PolarHBondContact O-N 3.27Å; D367-Q370 PolarHBondContact O-N 3.06Å; D367-R371 WeakPolarHBondContact O-CB 3.33Å; D367-R371 PolarHBondContact O-N 3.08Å
368M96.5Very high94.8Very high2 Ų237.5 Ų37.51%0.0119%0.188CC..Hα-helixtrans-60.5-48.4176.1179.6-178.3-70.900111.2F269 K272 E273 L276 W364 P365 Q370 R371 V372F269-M368 HydrophobicContact CD2-CE 3.55Å; F269-M368 HydrophobicContact CE1-CE 4.44Å; F269-M368 HydrophobicContact CE2-CE 3.36Å; F269-M368 HydrophobicContact CG-CE 4.21Å; F269-M368 HydrophobicContact CZ-CE 3.87Å; K272-M368 HydrophobicContact CB-CE 3.83Å; K272-M368 HydrophobicContact CB-SD 4.18Å; E273-M368 HydrophobicContact CB-CE 4.27Å; E273-M368 HydrophobicContact CB-SD 4.28Å; L276-M368 HydrophobicContact CD2-CG 3.99Å; L276-M368 HydrophobicContact CD2-SD 4.33Å; W364-M368 HydrophobicContact CE3-SD 4.05Å; W364-M368 HydrophobicContact CZ3-SD 4.15Å; P365-M368 HydrophobicContact CB-CB 4.19Å; P365-M368 PolarHBondContact O-N 3.21Å; M368-Q370 VanDerWaalsContact C-N 3.3Å; M368-Q370 PolarHBondContact O-N 3.12Å; M368-R371 PolarHBondContact O-N 3.28Å; M368-V372 HydrophobicContact CG-CG2 4.49Å; M368-V372 WeakPolarHBondContact O-CG2 3.29Å; M368-V372 PolarHBondContact O-N 3.02Å
369L97.4Very high95.6Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-63-39.2179.7-16667.2000111.3L276 L321 P365 L366 D367 L373 V377 I380 V416 M418L276-L369 HydrophobicContact CD1-CD1 3.7Å; L276-L369 HydrophobicContact CD2-CD1 3.95Å; L276-L369 HydrophobicContact CG-CD1 4.45Å; L321-L369 HydrophobicContact CD2-CD1 4.3Å; P365-L369 PolarHBondContact O-N 3.32Å; L366-L369 PolarHBondContact O-N 3.03Å; D367-L369 PolarHBondContact O-N 3.27Å; L369-L373 HydrophobicContact CD1-CB 4.48Å; L369-L373 HydrophobicContact CD1-CD1 3.98Å; L369-L373 CarbonylContact O-C 3.22Å; L369-L373 WeakPolarHBondContact O-CA 3.41Å; L369-L373 PolarHBondContact O-N 3.33Å; L369-V377 HydrophobicContact CB-CG2 4.03Å; L369-V377 HydrophobicContact CD2-CG2 3.9Å; L369-V377 HydrophobicContact CG-CG2 3.69Å; L369-I380 HydrophobicContact CD2-CD1 3.98Å; L369-V416 HydrophobicContact CD2-CB 4.08Å; L369-V416 HydrophobicContact CD2-CG1 4.14Å; L369-V416 HydrophobicContact CD2-CG2 3.81Å; L369-M418 HydrophobicContact CD2-CE 4.01Å
370Q97.7Very high96.4Very high84 Ų8428.4 Ų28.439%0.39314%0.141SC..Hα-helixtrans-69.5-35.4178.9-174.9162.8-10.600112.4L366 D367 M368 P374 V377L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.26Å; L366-Q370 PolarHBondContact O-N 3.35Å; D367-Q370 PolarHBondContact O-N 3.06Å; M368-Q370 VanDerWaalsContact C-N 3.3Å; M368-Q370 PolarHBondContact O-N 3.12Å; Q370-P374 VanDerWaalsContact O-CA 3.29Å; Q370-P374 WeakPolarHBondContact O-CA 3.46Å; Q370-P374 VanDerWaalsContact O-CB 3.32Å; Q370-P374 WeakPolarHBondContact O-CB 3.4Å; Q370-V377 HydrophobicContact CB-CG2 4.1Å
371R97.1Very high97.1Very high90 Ų9029.5 Ų29.534%0.3414%0.135SC..Hα-helixtrans-68.4-45.8174.5-178.7172.158.193.27.7112Y185 E273 D367 M368Y185-R371 HydrophobicContact CD1-CG 4.37Å; Y185-R371 WeakPolarHBondContact CD1-O 3.42Å; E273-R371 VanDerWaalsContact CD-NH1 3.32Å; E273-R371 IonicContact OE1-CZ 2.61Å; E273-R371 IonicContact OE1-NH1 2.69Å; E273-R371 PolarHBondContact OE1-NH1 2.89Å; E273-R371 IonicContact OE1-NH2 2.73Å; E273-R371 PolarHBondContact OE1-NH2 3.04Å; E273-R371 IonicContact OE2-CZ 3.9Å; E273-R371 IonicContact OE2-NH1 2.64Å; E273-R371 PolarHBondContact OE2-NH1 3.14Å; E273-R371 IonicContact OE2-NH2 2.69Å; E273-R371 PolarHBondContact OE2-NH2 2.79Å; D367-R371 WeakPolarHBondContact O-CB 3.33Å; D367-R371 PolarHBondContact O-N 3.08Å; M368-R371 PolarHBondContact O-N 3.28Å
372V97.6Very high97.4Very high0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-81-38.8-174.6-176.90000111.8F184 Y185 E273 L276 K277 M368F184-V372 HydrophobicContact CD1-CG1 3.89Å; Y185-V372 WeakPolarHBondContact CA-O 3.49Å; Y185-V372 HydrophobicContact CD1-CG2 4.43Å; Y185-V372 HydrophobicContact CE1-CG2 3.93Å; Y185-V372 PolarHBondContact N-O 3.45Å; E273-V372 HydrophobicContact CG-CG2 4.02Å; L276-V372 HydrophobicContact CD2-CB 4.01Å; L276-V372 HydrophobicContact CD2-CG1 4.31Å; L276-V372 HydrophobicContact CD2-CG2 4.11Å; K277-V372 HydrophobicContact CG-CG1 4.3Å; M368-V372 HydrophobicContact CG-CG2 4.49Å; M368-V372 WeakPolarHBondContact O-CG2 3.29Å; M368-V372 PolarHBondContact O-N 3.02Å
373L98.6Very high97.6Very high0 Ų030.6 Ų30.60%014%0.142CC..  trans-136.162.1-170.9-58.3177.5000111.5F184 W198 L276 Y280 L321 L369 R375 H376 V377F184-L373 HydrophobicContact CD1-CD2 4.47Å; W198-L373 HydrophobicContact CH2-CD2 3.87Å; W198-L373 HydrophobicContact CZ2-CD2 4.36Å; L276-L373 HydrophobicContact CD1-CD1 4.32Å; Y280-L373 HydrophobicContact CD1-CD2 3.48Å; Y280-L373 VanDerWaalsContact CD1-CD2 3.48Å; Y280-L373 HydrophobicContact CD2-CD1 3.81Å; Y280-L373 HydrophobicContact CD2-CD2 3.9Å; Y280-L373 HydrophobicContact CE1-CD2 3.71Å; Y280-L373 HydrophobicContact CE2-CD2 4.14Å; Y280-L373 HydrophobicContact CG-CD1 3.83Å; Y280-L373 HydrophobicContact CG-CD2 3.57Å; Y280-L373 HydrophobicContact CG-CG 4.36Å; L321-L373 HydrophobicContact CD1-CD1 3.78Å; L321-L373 HydrophobicContact CD2-CD1 4.35Å; L369-L373 HydrophobicContact CD1-CB 4.48Å; L369-L373 HydrophobicContact CD1-CD1 3.98Å; L369-L373 CarbonylContact O-C 3.22Å; L369-L373 WeakPolarHBondContact O-CA 3.41Å; L369-L373 PolarHBondContact O-N 3.33Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.66Å; L373-H376 HydrophobicContact CB-CB 3.94Å; L373-H376 PolarHBondContact O-N 2.85Å; L373-H376 VanDerWaalsContact O-N 3.13Å; L373-V377 PolarHBondContact O-N 2.78Å
374P98.5Very high97.8Very high19 Ų1928 Ų2812%0.12313%0.133CC..Hα-helixtrans-59.2-38.6-171.822.4-33.5000112.9V188 Q370 V377 E378V188-P374 HydrophobicContact CG2-CB 4.31Å; Q370-P374 VanDerWaalsContact O-CA 3.29Å; Q370-P374 WeakPolarHBondContact O-CA 3.46Å; Q370-P374 VanDerWaalsContact O-CB 3.32Å; Q370-P374 WeakPolarHBondContact O-CB 3.4Å; P374-V377 PolarHBondContact O-N 3.45Å; P374-E378 PolarHBondContact O-N 2.89Å
375R98.3Very high97.8Very high7 Ų731.5 Ų31.53%0.02616%0.157CC..Hα-helixtrans-67.3-39.8179.3-176.855.4-175.31315.8112.3V188 W198 R328 D332 L373 V377 E378 I379V188-R375 HydrophobicContact CG2-CB 3.77Å; V188-R375 HydrophobicContact CG2-CG 4.44Å; W198-R375 HydrophobicContact CB-CB 4.35Å; W198-R375 HydrophobicContact CD2-CB 4.4Å; W198-R375 HydrophobicContact CG-CB 4.21Å; R328-R375 HydrophobicContact CG-CG 3.87Å; D332-R375 IonicContact OD1-CZ 2.69Å; D332-R375 IonicContact OD1-NE 3.36Å; D332-R375 PolarHBondContact OD1-NE 3.1Å; D332-R375 IonicContact OD1-NH2 2.66Å; D332-R375 PolarHBondContact OD1-NH2 2.81Å; D332-R375 WeakPolarHBondContact OD2-CG 3.5Å; D332-R375 IonicContact OD2-CZ 3.08Å; D332-R375 IonicContact OD2-NE 2.67Å; D332-R375 PolarHBondContact OD2-NE 2.88Å; D332-R375 IonicContact OD2-NH2 2.76Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 2.66Å; R375-V377 VanDerWaalsContact C-N 3.29Å; R375-V377 PolarHBondContact O-N 2.88Å; R375-E378 IonicContact NH1-OE2 3.82Å; R375-E378 PolarHBondContact NH1-OE2 2.99Å; R375-E378 WeakPolarHBondContact O-CB 3.29Å; R375-E378 PolarHBondContact O-N 3.4Å; R375-I379 HydrophobicContact CG-CD1 4.15Å; R375-I379 WeakPolarHBondContact O-CG1 3.39Å; R375-I379 PolarHBondContact O-N 3.31Å; R375-I379 VanDerWaalsContact O-N 3.07Å
376H98.7Very high97.8Very high0 Ų034.7 Ų34.70%017%0.171CC..Hα-helixtrans-64.6-36.8178.6-58.372.1000111.3W198 Y280 P324 E325 L373 E378 I379 I380W198-H376 AromaticContact CZ3-CE1 3.72Å; Y280-H376 AromaticContact CE2-CD2 3.89Å; Y280-H376 AromaticContact CE2-CE1 3.52Å; Y280-H376 AromaticContact CE2-NE2 3.17Å; Y280-H376 WeakPolarHBondContact CE2-NE2 3.36Å; Y280-H376 AromaticContact CZ-CE1 3.53Å; Y280-H376 AromaticContact CZ-NE2 3.59Å; Y280-H376 PolarHBondContact OH-CE1 3.05Å; Y280-H376 VanDerWaalsContact OH-CE1 3.27Å; Y280-H376 PolarHBondContact OH-NE2 3.14Å; P324-H376 HydrophobicContact CB-CB 4.34Å; E325-H376 IonicContact OE2-CD2 2.6Å; E325-H376 IonicContact OE2-CE1 3.05Å; E325-H376 PolarHBondContact OE2-CE1 3.16Å; E325-H376 IonicContact OE2-NE2 3.07Å; E325-H376 PolarHBondContact OE2-NE2 3.11Å; L373-H376 HydrophobicContact CB-CB 3.94Å; L373-H376 PolarHBondContact O-N 2.85Å; L373-H376 VanDerWaalsContact O-N 3.13Å; H376-E378 PolarHBondContact O-N 3.41Å; H376-I379 PolarHBondContact O-N 3.31Å; H376-I380 WeakPolarHBondContact O-CB 3.35Å; H376-I380 WeakPolarHBondContact O-CD1 3.3Å; H376-I380 WeakPolarHBondContact O-CG1 3.47Å; H376-I380 PolarHBondContact O-N 2.84Å
377V98.6Very high97.7Very high0 Ų033.5 Ų33.50%016%0.164CC..Hα-helixtrans-61.7-42.4173.7176.20000111.6L366 L369 Q370 L373 P374 R375 I379 I380 R381L366-V377 HydrophobicContact CD1-CG1 3.82Å; L366-V377 HydrophobicContact CD1-CG2 4.49Å; L369-V377 HydrophobicContact CB-CG2 4.03Å; L369-V377 HydrophobicContact CD2-CG2 3.9Å; L369-V377 HydrophobicContact CG-CG2 3.69Å; Q370-V377 HydrophobicContact CB-CG2 4.1Å; L373-V377 PolarHBondContact O-N 2.78Å; P374-V377 PolarHBondContact O-N 3.45Å; R375-V377 VanDerWaalsContact C-N 3.29Å; R375-V377 PolarHBondContact O-N 2.88Å; V377-I379 VanDerWaalsContact C-N 3.33Å; V377-I379 PolarHBondContact O-N 3.32Å; V377-I380 PolarHBondContact O-N 2.95Å; V377-R381 VanDerWaalsContact CG1-CZ 3.46Å; V377-R381 WeakPolarHBondContact O-CG 3.3Å; V377-R381 PolarHBondContact O-N 2.93Å
378E98.1Very high97.7Very high45 Ų4532.4 Ų32.421%0.2115%0.154CC..Hα-helixtrans-60.5-42.5174.1-68.9-170.7-171.900112.2R190 P374 R375 H376 R381 N382R190-E378 IonicContact CZ-OE2 3.6Å; R190-E378 IonicContact NE-OE2 2.69Å; R190-E378 IonicContact NH2-OE2 3.3Å; R190-E378 PolarHBondContact NH2-OE2 3.44Å; P374-E378 PolarHBondContact O-N 2.89Å; R375-E378 IonicContact NH1-OE2 3.82Å; R375-E378 PolarHBondContact NH1-OE2 2.99Å; R375-E378 WeakPolarHBondContact O-CB 3.29Å; R375-E378 PolarHBondContact O-N 3.4Å; H376-E378 PolarHBondContact O-N 3.41Å; E378-R381 PolarHBondContact O-N 3.14Å; E378-N382 PolarHBondContact O-N 3.36Å
379I98.5Very high97.7Very high0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-64.1-45.6177.4-68.8169.7000110.7P324 M327 R328 W338 R375 H376 V377 R381 N382 I383P324-I379 HydrophobicContact CB-CB 4.37Å; P324-I379 HydrophobicContact CB-CG2 3.82Å; M327-I379 HydrophobicContact CB-CG2 3.67Å; M327-I379 HydrophobicContact CG-CG2 4.34Å; R328-I379 HydrophobicContact CB-CD1 3.45Å; R328-I379 VanDerWaalsContact CB-CD1 3.45Å; R328-I379 HydrophobicContact CG-CD1 3.91Å; W338-I379 HydrophobicContact CH2-CB 4.36Å; W338-I379 HydrophobicContact CH2-CG2 3.88Å; W338-I379 HydrophobicContact CZ3-CG1 4.35Å; W338-I379 HydrophobicContact CZ3-CG2 4.31Å; R375-I379 HydrophobicContact CG-CD1 4.15Å; R375-I379 WeakPolarHBondContact O-CG1 3.39Å; R375-I379 PolarHBondContact O-N 3.31Å; R375-I379 VanDerWaalsContact O-N 3.07Å; H376-I379 PolarHBondContact O-N 3.31Å; V377-I379 VanDerWaalsContact C-N 3.33Å; V377-I379 PolarHBondContact O-N 3.32Å; I379-R381 VanDerWaalsContact C-N 3.32Å; I379-R381 PolarHBondContact O-N 2.96Å; I379-N382 WeakPolarHBondContact O-CB 3.35Å; I379-N382 PolarHBondContact O-N 3.25Å; I379-N382 VanDerWaalsContact O-N 3.14Å; I379-I383 HydrophobicContact CG2-CD1 3.97Å; I379-I383 WeakPolarHBondContact O-CG1 3.25Å; I379-I383 PolarHBondContact O-N 3.03Å
380I98.7Very high97.6Very high0 Ų037.3 Ų37.30%019%0.186CC..Hα-helixtrans-62.6-40.7178.4-66.1163.4000110.6P324 L369 H376 V377 N382 I383 D384 I407 F408 V416 L421P324-I380 HydrophobicContact CB-CD1 4.4Å; P324-I380 HydrophobicContact CB-CG1 3.9Å; P324-I380 HydrophobicContact CG-CD1 4.16Å; P324-I380 HydrophobicContact CG-CG1 4.07Å; L369-I380 HydrophobicContact CD2-CD1 3.98Å; H376-I380 WeakPolarHBondContact O-CB 3.35Å; H376-I380 WeakPolarHBondContact O-CD1 3.3Å; H376-I380 WeakPolarHBondContact O-CG1 3.47Å; H376-I380 PolarHBondContact O-N 2.84Å; V377-I380 PolarHBondContact O-N 2.95Å; I380-N382 VanDerWaalsContact C-N 3.32Å; I380-N382 PolarHBondContact O-N 3.12Å; I380-I383 PolarHBondContact O-N 3.22Å; I380-D384 WeakPolarHBondContact O-CB 3.34Å; I380-D384 PolarHBondContact O-N 3.45Å; I380-I407 HydrophobicContact CG2-CB 4.33Å; I380-I407 HydrophobicContact CG2-CD1 4.36Å; I380-I407 HydrophobicContact CG2-CG2 3.54Å; I380-F408 HydrophobicContact CB-CZ 4.22Å; I380-F408 HydrophobicContact CG2-CE2 3.78Å; I380-F408 HydrophobicContact CG2-CZ 3.64Å; I380-V416 HydrophobicContact CD1-CG1 4.43Å; I380-V416 HydrophobicContact CG2-CG1 4.28Å; I380-L421 HydrophobicContact CD1-CD2 4.35Å; I380-L421 HydrophobicContact CG1-CD1 4.47Å; I380-L421 HydrophobicContact CG1-CD2 4.43Å
381R98.3Very high97.5Very high90 Ų9033.3 Ų33.334%0.3417%0.168SC..Hα-helixtrans-58.4-44.3172.9-74.8178.8-176.81383.8111.5V377 E378 I379 D384 C385 F408V377-R381 VanDerWaalsContact CG1-CZ 3.46Å; V377-R381 WeakPolarHBondContact O-CG 3.3Å; V377-R381 PolarHBondContact O-N 2.93Å; E378-R381 PolarHBondContact O-N 3.14Å; I379-R381 VanDerWaalsContact C-N 3.32Å; I379-R381 PolarHBondContact O-N 2.96Å; R381-D384 PolarHBondContact O-N 3.26Å; R381-C385 WeakPolarHBondContact O-CB 3.19Å; R381-C385 PolarHBondContact O-N 2.85Å; R381-C385 PolarHBondContact O-SG 2.84Å; R381-F408 HydrophobicContact CB-CE2 4.34Å; R381-F408 HydrophobicContact CB-CZ 4.25Å; R381-F408 HydrophobicContact CG-CE1 4.12Å; R381-F408 HydrophobicContact CG-CE2 3.79Å; R381-F408 HydrophobicContact CG-CZ 3.37Å
382N97.2Very high97.4Very high68 Ų6832.6 Ų32.636%0.36417%0.171SC..Hα-helixtrans-65.9-40177.8-73-4.1000112.4W338 E378 I379 I380 C385 H386W338-N382 HydrophobicContact CH2-CB 3.33Å; W338-N382 HydrophobicContact CZ2-CB 3.43Å; W338-N382 VanDerWaalsContact CZ2-CB 3.43Å; W338-N382 HydrophobicContact CZ3-CB 4.01Å; E378-N382 PolarHBondContact O-N 3.36Å; I379-N382 WeakPolarHBondContact O-CB 3.35Å; I379-N382 PolarHBondContact O-N 3.25Å; I379-N382 VanDerWaalsContact O-N 3.14Å; I380-N382 VanDerWaalsContact C-N 3.32Å; I380-N382 PolarHBondContact O-N 3.12Å; N382-C385 PolarHBondContact O-N 3.01Å; N382-H386 WeakPolarHBondContact O-CB 3.39Å; N382-H386 PolarHBondContact O-N 3.43Å
383I98.4Very high97.3Very high1 Ų143 Ų431%0.00521%0.21CC..Hα-helixtrans-59.3-47.8173.4-67.3167000110I323 W338 W342 I379 I380 H386 F387 I407 L421 I424I323-I383 HydrophobicContact CG2-CD1 4.25Å; W338-I383 HydrophobicContact CH2-CG1 4.22Å; W338-I383 HydrophobicContact CZ2-CG1 3.92Å; W342-I383 HydrophobicContact CE3-CD1 4.35Å; W342-I383 HydrophobicContact CE3-CG1 4.1Å; W342-I383 HydrophobicContact CH2-CB 4.49Å; W342-I383 HydrophobicContact CH2-CD1 4.22Å; W342-I383 HydrophobicContact CH2-CG1 4.12Å; W342-I383 HydrophobicContact CH2-CG2 3.57Å; W342-I383 HydrophobicContact CZ2-CG2 4.15Å; W342-I383 HydrophobicContact CZ3-CB 4.48Å; W342-I383 HydrophobicContact CZ3-CD1 3.6Å; W342-I383 HydrophobicContact CZ3-CG1 3.64Å; W342-I383 HydrophobicContact CZ3-CG2 4.01Å; I379-I383 HydrophobicContact CG2-CD1 3.97Å; I379-I383 WeakPolarHBondContact O-CG1 3.25Å; I379-I383 PolarHBondContact O-N 3.03Å; I380-I383 PolarHBondContact O-N 3.22Å; I383-H386 PolarHBondContact O-N 2.85Å; I383-F387 WeakPolarHBondContact O-CB 3.2Å; I383-F387 PolarHBondContact O-N 2.86Å; I383-I407 HydrophobicContact CB-CD1 4.4Å; I383-I407 HydrophobicContact CG2-CD1 3.76Å; I383-L421 HydrophobicContact CD1-CD1 4.39Å; I383-I424 HydrophobicContact CG2-CG2 3.91Å
384D98.1Very high97.1Very high11 Ų1149.2 Ų49.26%0.05923%0.233CC..Hα-helixtrans-66-39.8-179-162.255.5000112.3I380 R381 F387 K388 F402 S406 I407 F408I380-D384 WeakPolarHBondContact O-CB 3.34Å; I380-D384 PolarHBondContact O-N 3.45Å; R381-D384 PolarHBondContact O-N 3.26Å; D384-F387 PolarHBondContact O-N 3.37Å; D384-K388 PolarHBondContact O-N 3.2Å; D384-F402 VanDerWaalsContact OD2-CZ 3.28Å; D384-F402 WeakPolarHBondContact OD2-CZ 3.48Å; D384-S406 VanDerWaalsContact CG-OG 3.3Å; D384-S406 WeakPolarHBondContact OD1-CA 3.38Å; D384-S406 PolarHBondContact OD1-OG 2.87Å; D384-S406 PolarHBondContact OD2-OG 3.02Å; D384-I407 HydrophobicContact CB-CB 4.35Å; D384-I407 HydrophobicContact CB-CD1 4.2Å; D384-I407 PolarHBondContact OD1-N 2.97Å; D384-F408 HydrophobicContact CB-CD2 3.97Å; D384-F408 HydrophobicContact CB-CE2 3.9Å
385C97.1Very high97Very high79 Ų7950.1 Ų50.153%0.53423%0.234SC..Hα-helixtrans-62-42.7173-770000112.5R381 N382 F387 K388 S389R381-C385 WeakPolarHBondContact O-CB 3.19Å; R381-C385 PolarHBondContact O-N 2.85Å; R381-C385 PolarHBondContact O-SG 2.84Å; N382-C385 PolarHBondContact O-N 3.01Å; C385-F387 VanDerWaalsContact C-N 3.33Å; C385-K388 WeakPolarHBondContact O-CB 3.38Å; C385-K388 PolarHBondContact O-N 3.39Å; C385-S389 PolarHBondContact O-N 2.95Å; C385-S389 PolarHBondContact O-OG 2.82Å
386H95.5Very high96.8Very high85 Ų8554.9 Ų54.939%0.39427%0.266SS..Hα-helixtrans-62.9-44173.9-177.379000110.6N382 I383 K388 S389 V390N382-H386 WeakPolarHBondContact O-CB 3.39Å; N382-H386 PolarHBondContact O-N 3.43Å; I383-H386 PolarHBondContact O-N 2.85Å; H386-K388 VanDerWaalsContact C-N 3.34Å; H386-K388 PolarHBondContact O-N 3.25Å; H386-S389 WeakPolarHBondContact O-CB 3.46Å; H386-S389 PolarHBondContact O-N 3.49Å; H386-S389 VanDerWaalsContact O-N 3.08Å; H386-V390 PolarHBondContact O-N 3.32Å
387F96.8Very high96.5Very high4 Ų460.2 Ų60.22%0.01830%0.303CS..Hα-helixtrans-62.9-38.2178.7-173.1-123.9000112.9I383 D384 C385 S389 V390 I391 F402 M405 I424 F448 L451 W452I383-F387 WeakPolarHBondContact O-CB 3.2Å; I383-F387 PolarHBondContact O-N 2.86Å; D384-F387 PolarHBondContact O-N 3.37Å; C385-F387 VanDerWaalsContact C-N 3.33Å; F387-S389 PolarHBondContact O-N 2.94Å; F387-V390 HydrophobicContact CD2-CB 4.39Å; F387-V390 WeakPolarHBondContact O-CA 3.29Å; F387-V390 WeakPolarHBondContact O-CB 3.43Å; F387-V390 PolarHBondContact O-N 3.31Å; F387-I391 HydrophobicContact CD1-CG1 4.32Å; F387-I391 HydrophobicContact CE1-CD1 4.13Å; F387-I391 HydrophobicContact CE1-CG1 4Å; F387-I391 HydrophobicContact CE2-CD1 3.95Å; F387-I391 HydrophobicContact CE2-CG1 4.26Å; F387-I391 HydrophobicContact CZ-CD1 3.65Å; F387-I391 HydrophobicContact CZ-CG1 3.98Å; F387-I391 PolarHBondContact O-N 2.91Å; F387-F402 HydrophobicContact CD1-CE2 4.5Å; F387-M405 HydrophobicContact CE1-CB 3.87Å; F387-M405 HydrophobicContact CE1-CE 4.33Å; F387-M405 HydrophobicContact CZ-CB 4.47Å; F387-M405 HydrophobicContact CZ-CE 3.8Å; F387-I424 HydrophobicContact CB-CD1 4.49Å; F387-I424 HydrophobicContact CD1-CD1 3.43Å; F387-I424 VanDerWaalsContact CD1-CD1 3.43Å; F387-I424 HydrophobicContact CD1-CG1 4.06Å; F387-I424 HydrophobicContact CD2-CD1 4.4Å; F387-I424 HydrophobicContact CD2-CG1 4.21Å; F387-I424 HydrophobicContact CD2-CG2 4.31Å; F387-I424 HydrophobicContact CE1-CD1 3.58Å; F387-I424 HydrophobicContact CE1-CG1 3.94Å; F387-I424 HydrophobicContact CE2-CG1 4.13Å; F387-I424 HydrophobicContact CG-CD1 3.86Å; F387-I424 HydrophobicContact CG-CG1 4.17Å; F387-I424 HydrophobicContact CG-CG2 4.37Å; F387-I424 HydrophobicContact CZ-CD1 4.14Å; F387-I424 HydrophobicContact CZ-CG1 3.97Å; F387-F448 AromaticContact CE1-CE1 3.85Å; F387-F448 HydrophobicContact CE1-CE1 3.85Å; F387-F448 HydrophobicContact CE1-CZ 4.49Å; F387-F448 HydrophobicContact CZ-CD1 4.15Å; F387-F448 AromaticContact CZ-CE1 3.69Å; F387-F448 HydrophobicContact CZ-CE1 3.69Å; F387-L451 HydrophobicContact CE2-CD2 3.61Å; F387-L451 HydrophobicContact CZ-CD2 3.91Å; F387-W452 AromaticContact CD2-CH2 4Å; F387-W452 HydrophobicContact CD2-CH2 4Å; F387-W452 AromaticContact CE2-CH2 3.36Å; F387-W452 HydrophobicContact CE2-CH2 3.36Å; F387-W452 HydrophobicContact CE2-CZ2 4.07Å; F387-W452 AromaticContact CE2-CZ3 3.91Å; F387-W452 HydrophobicContact CE2-CZ3 3.91Å; F387-W452 HydrophobicContact CZ-CH2 4.23Å; F387-W452 HydrophobicContact CZ-CZ3 4.36Å
388K96.7Very high96.3Very high96 Ų9662.3 Ų62.342%0.41732%0.315SS..Hα-helixtrans-52.5-42.1171.4-170.7173.1-176.2173.80112.4D384 C385 H386 V390 I391 N392 F402D384-K388 PolarHBondContact O-N 3.2Å; C385-K388 WeakPolarHBondContact O-CB 3.38Å; C385-K388 PolarHBondContact O-N 3.39Å; H386-K388 VanDerWaalsContact C-N 3.34Å; H386-K388 PolarHBondContact O-N 3.25Å; K388-V390 VanDerWaalsContact C-N 3.32Å; K388-V390 PolarHBondContact O-N 2.94Å; K388-I391 PolarHBondContact O-N 3.44Å; K388-N392 WeakPolarHBondContact O-CB 3.21Å; K388-N392 VanDerWaalsContact O-CG 3.31Å; K388-N392 PolarHBondContact O-N 2.96Å; K388-F402 VanDerWaalsContact CA-CD2 3.45Å; K388-F402 HydrophobicContact CB-CD1 4.37Å; K388-F402 HydrophobicContact CB-CD2 3.66Å; K388-F402 HydrophobicContact CB-CE1 4.16Å; K388-F402 HydrophobicContact CB-CE2 3.4Å; K388-F402 VanDerWaalsContact CB-CE2 3.4Å; K388-F402 HydrophobicContact CB-CG 4.12Å; K388-F402 HydrophobicContact CB-CZ 3.66Å; K388-F402 HydrophobicContact CD-CD1 3.84Å; K388-F402 HydrophobicContact CD-CE1 3.65Å; K388-F402 HydrophobicContact CD-CE2 4.45Å; K388-F402 HydrophobicContact CD-CG 4.3Å; K388-F402 HydrophobicContact CD-CZ 3.97Å; K388-F402 HydrophobicContact CG-CB 4.48Å; K388-F402 HydrophobicContact CG-CD1 3.8Å; K388-F402 HydrophobicContact CG-CD2 3.81Å; K388-F402 HydrophobicContact CG-CE1 3.91Å; K388-F402 HydrophobicContact CG-CE2 3.92Å; K388-F402 HydrophobicContact CG-CG 3.73Å; K388-F402 HydrophobicContact CG-CZ 3.95Å
389S95.1Very high95.8Very high58 Ų5868.5 Ų68.541%0.40634%0.343SS..Hα-helixtrans-66.1-36.2178.5-58.60000112C385 H386 F387 R393C385-S389 PolarHBondContact O-N 2.95Å; C385-S389 PolarHBondContact O-OG 2.82Å; H386-S389 WeakPolarHBondContact O-CB 3.46Å; H386-S389 PolarHBondContact O-N 3.49Å; H386-S389 VanDerWaalsContact O-N 3.08Å; F387-S389 PolarHBondContact O-N 2.94Å; S389-R393 WeakPolarHBondContact O-CB 3.35Å; S389-R393 VanDerWaalsContact O-CG 3.24Å; S389-R393 WeakPolarHBondContact O-CG 3.44Å; S389-R393 PolarHBondContact O-N 3.48Å
390V95.2Very high95.6Very high47 Ų4773.1 Ų73.129%0.28537%0.368SS..Hα-helixtrans-64.1-46.9173.8178.30000110.7H386 F387 K388 R393 R394 L451H386-V390 PolarHBondContact O-N 3.32Å; F387-V390 HydrophobicContact CD2-CB 4.39Å; F387-V390 WeakPolarHBondContact O-CA 3.29Å; F387-V390 WeakPolarHBondContact O-CB 3.43Å; F387-V390 PolarHBondContact O-N 3.31Å; K388-V390 VanDerWaalsContact C-N 3.32Å; K388-V390 PolarHBondContact O-N 2.94Å; V390-R393 PolarHBondContact O-N 3.35Å; V390-R394 WeakPolarHBondContact O-CB 3.2Å; V390-R394 PolarHBondContact O-N 2.85Å; V390-R394 VanDerWaalsContact O-N 3.09Å; V390-L451 HydrophobicContact CG1-CD1 4.47Å; V390-L451 HydrophobicContact CG1-CD2 4.49Å
391I96.8Very high95.4Very high0 Ų074.6 Ų74.60%037%0.374CS..Hα-helixtrans-63.1-49.5179.6-62-55000111.5F387 K388 R393 R394 W395 R401 F402 M405 L451F387-I391 HydrophobicContact CD1-CG1 4.32Å; F387-I391 HydrophobicContact CE1-CD1 4.13Å; F387-I391 HydrophobicContact CE1-CG1 4Å; F387-I391 HydrophobicContact CE2-CD1 3.95Å; F387-I391 HydrophobicContact CE2-CG1 4.26Å; F387-I391 HydrophobicContact CZ-CD1 3.65Å; F387-I391 HydrophobicContact CZ-CG1 3.98Å; F387-I391 PolarHBondContact O-N 2.91Å; K388-I391 PolarHBondContact O-N 3.44Å; I391-R393 VanDerWaalsContact C-N 3.25Å; I391-R393 PolarHBondContact O-N 3.3Å; I391-R394 PolarHBondContact O-N 2.94Å; I391-W395 HydrophobicContact CD1-CE3 4.38Å; I391-W395 HydrophobicContact CD1-CZ3 4.03Å; I391-W395 HydrophobicContact CG2-CE3 4.4Å; I391-W395 PolarHBondContact O-N 3.37Å; I391-R401 HydrophobicContact CG2-CB 4.09Å; I391-R401 HydrophobicContact CG2-CG 4.12Å; I391-F402 HydrophobicContact CB-CB 4.42Å; I391-F402 HydrophobicContact CG1-CD2 4.47Å; I391-F402 HydrophobicContact CG2-CB 4.04Å; I391-M405 HydrophobicContact CD1-CE 3.84Å; I391-M405 HydrophobicContact CD1-SD 3.58Å; I391-M405 VanDerWaalsContact CD1-SD 3.58Å; I391-M405 HydrophobicContact CG1-SD 4.36Å; I391-L451 HydrophobicContact CD1-CD2 3.73Å
392N94.5Very high95.3Very high75 Ų7571.7 Ų71.740%0.40136%0.364SS..Hα-helixtrans-62.6-32.2-178.7-72.6-3.8000112.6K388 P396K388-N392 WeakPolarHBondContact O-CB 3.21Å; K388-N392 VanDerWaalsContact O-CG 3.31Å; K388-N392 PolarHBondContact O-N 2.96Å; N392-P396 VanDerWaalsContact O-CA 3.32Å; N392-P396 WeakPolarHBondContact O-CA 3.24Å
393R94.8Very high95.2Very high217 Ų21774.5 Ų74.582%0.81937%0.374SS*.Hα-helixtrans-71.4-38.6173.5-74.2174.8-175.5179.82.7112.3S389 V390 I391S389-R393 WeakPolarHBondContact O-CB 3.35Å; S389-R393 VanDerWaalsContact O-CG 3.24Å; S389-R393 WeakPolarHBondContact O-CG 3.44Å; S389-R393 PolarHBondContact O-N 3.48Å; V390-R393 PolarHBondContact O-N 3.35Å; I391-R393 VanDerWaalsContact C-N 3.25Å; I391-R393 PolarHBondContact O-N 3.3Å
394R95.6Very high95Very high131 Ų13179.5 Ų79.549%0.49439%0.393SS..Hα-helixtrans-77.2-36-176.7-178.264178.7850.4113.1V390 I391 L451V390-R394 WeakPolarHBondContact O-CB 3.2Å; V390-R394 PolarHBondContact O-N 2.85Å; V390-R394 VanDerWaalsContact O-N 3.09Å; I391-R394 PolarHBondContact O-N 2.94Å; R394-L451 HydrophobicContact CB-CD1 4.23Å; R394-L451 HydrophobicContact CG-CD1 3.86Å
395W95.9Very high95Very high39 Ų3979 Ų7915%0.14839%0.391CS..  trans-139.273-177.8-62.9-70.9000111.3I391 S397 D398 R401 D450 L451I391-W395 HydrophobicContact CD1-CE3 4.38Å; I391-W395 HydrophobicContact CD1-CZ3 4.03Å; I391-W395 HydrophobicContact CG2-CE3 4.4Å; I391-W395 PolarHBondContact O-N 3.37Å; W395-S397 PolarHBondContact O-N 3.41Å; W395-S397 VanDerWaalsContact O-N 3.11Å; W395-D398 HydrophobicContact CB-CB 4.38Å; W395-D398 PolarHBondContact O-N 2.95Å; W395-R401 VanDerWaalsContact CD2-CD 3.46Å; W395-R401 HydrophobicContact CE3-CG 4.27Å; W395-R401 VanDerWaalsContact CZ2-NH1 3.31Å; W395-D450 HydrophobicContact CH2-CB 4.14Å; W395-D450 HydrophobicContact CZ2-CB 4.02Å; W395-L451 HydrophobicContact CH2-CB 3.68Å; W395-L451 HydrophobicContact CH2-CD1 3.97Å; W395-L451 HydrophobicContact CH2-CG 4.4Å; W395-L451 HydrophobicContact CZ3-CB 4.02Å; W395-L451 HydrophobicContact CZ3-CD1 3.8Å; W395-L451 HydrophobicContact CZ3-CG 4.38Å
396P93.3Very high95Very high107 Ų10775.6 Ų75.670%0.69537%0.367SS*.THydrogen-bonded Turntrans-64.3-17.2-177.725.4-34.6000114N392N392-P396 VanDerWaalsContact O-CA 3.32Å; N392-P396 WeakPolarHBondContact O-CA 3.24Å
397S94Very high95.2Very high112 Ų11271.5 Ų71.578%0.78335%0.349SS*.THydrogen-bonded Turntrans-96.5-11.2-17855.60000115.3W395W395-S397 PolarHBondContact O-N 3.41Å; W395-S397 VanDerWaalsContact O-N 3.11Å
398D94.1Very high95.2Very high44 Ų4473.6 Ų73.624%0.23536%0.358CS..  trans-103.479.4178.2-173.2-6.8000109.3W395 N400 R401 R404W395-D398 HydrophobicContact CB-CB 4.38Å; W395-D398 PolarHBondContact O-N 2.95Å; D398-N400 PolarHBondContact O-N 3.31Å; D398-N400 VanDerWaalsContact O-N 3.11Å; D398-R401 HydrophobicContact CB-CB 4.03Å; D398-R401 WeakPolarHBondContact O-CB 3.35Å; D398-R401 PolarHBondContact O-N 3.38Å; D398-R401 PolarHBondContact OD1-N 2.84Å; D398-R401 IonicContact OD2-CZ 3.44Å; D398-R401 IonicContact OD2-NE 2.77Å; D398-R401 PolarHBondContact OD2-NE 3.48Å; D398-R401 IonicContact OD2-NH2 3.68Å; D398-R401 PolarHBondContact OD2-NH2 2.97Å; D398-R404 IonicContact OD1-NH1 3.48Å; D398-R404 PolarHBondContact OD1-NH1 2.81Å; D398-R404 IonicContact OD1-NH2 2.73Å; D398-R404 IonicContact OD2-CZ 3.74Å; D398-R404 IonicContact OD2-NH1 3.64Å; D398-R404 IonicContact OD2-NH2 3.96Å; D398-R404 PolarHBondContact OD2-NH2 3.25Å
399E87.9Confident95.2Very high175 Ų17571.1 Ų71.182%0.81835%0.348SS*.THydrogen-bonded Turntrans-57.1-28.3-174.1-63.8-175.9172.800113.3
400N93.6Very high95.2Very high96 Ų9676 Ų7651%0.51336%0.364SS..THydrogen-bonded Turntrans-91-7.3-177.9-67.4-36.3000113.4D398 F402 Q403 R404D398-N400 PolarHBondContact O-N 3.31Å; D398-N400 VanDerWaalsContact O-N 3.11Å; N400-F402 VanDerWaalsContact C-N 3.33Å; N400-F402 PolarHBondContact O-N 3.18Å; N400-Q403 PolarHBondContact O-N 3.03Å; N400-R404 PolarHBondContact O-N 3.38Å
401R95Very high94.8Very high32 Ų3277 Ų7712%0.12137%0.367CS..Hα-helixtrans-61.2-42.6-176.5-169.8163.2-77.5-120.8-10112.2I391 W395 D398 Q403 R404 M405 D447 D450I391-R401 HydrophobicContact CG2-CB 4.09Å; I391-R401 HydrophobicContact CG2-CG 4.12Å; W395-R401 VanDerWaalsContact CD2-CD 3.46Å; W395-R401 HydrophobicContact CE3-CG 4.27Å; W395-R401 VanDerWaalsContact CZ2-NH1 3.31Å; D398-R401 HydrophobicContact CB-CB 4.03Å; D398-R401 WeakPolarHBondContact O-CB 3.35Å; D398-R401 PolarHBondContact O-N 3.38Å; D398-R401 PolarHBondContact OD1-N 2.84Å; D398-R401 IonicContact OD2-CZ 3.44Å; D398-R401 IonicContact OD2-NE 2.77Å; D398-R401 PolarHBondContact OD2-NE 3.48Å; D398-R401 IonicContact OD2-NH2 3.68Å; D398-R401 PolarHBondContact OD2-NH2 2.97Å; R401-Q403 VanDerWaalsContact C-N 3.3Å; R401-Q403 PolarHBondContact O-N 3.07Å; R401-R404 PolarHBondContact O-N 3.06Å; R401-M405 HydrophobicContact CG-SD 3.75Å; R401-M405 WeakPolarHBondContact O-CG 3.13Å; R401-M405 PolarHBondContact O-N 2.73Å; R401-D447 IonicContact CZ-OD1 2.8Å; R401-D447 IonicContact NH1-OD1 3.5Å; R401-D447 IonicContact NH2-OD1 2.95Å; R401-D450 IonicContact NH1-OD2 3.67Å
402F96.1Very high94.5Very high29 Ų2985.2 Ų85.213%0.12741%0.411CS..Hα-helixtrans-60-41.6177.1171.6-107.7000111.8D384 F387 K388 I391 N400 R404 M405 S406D384-F402 VanDerWaalsContact OD2-CZ 3.28Å; D384-F402 WeakPolarHBondContact OD2-CZ 3.48Å; F387-F402 HydrophobicContact CD1-CE2 4.5Å; K388-F402 VanDerWaalsContact CA-CD2 3.45Å; K388-F402 HydrophobicContact CB-CD1 4.37Å; K388-F402 HydrophobicContact CB-CD2 3.66Å; K388-F402 HydrophobicContact CB-CE1 4.16Å; K388-F402 HydrophobicContact CB-CE2 3.4Å; K388-F402 VanDerWaalsContact CB-CE2 3.4Å; K388-F402 HydrophobicContact CB-CG 4.12Å; K388-F402 HydrophobicContact CB-CZ 3.66Å; K388-F402 HydrophobicContact CD-CD1 3.84Å; K388-F402 HydrophobicContact CD-CE1 3.65Å; K388-F402 HydrophobicContact CD-CE2 4.45Å; K388-F402 HydrophobicContact CD-CG 4.3Å; K388-F402 HydrophobicContact CD-CZ 3.97Å; K388-F402 HydrophobicContact CG-CB 4.48Å; K388-F402 HydrophobicContact CG-CD1 3.8Å; K388-F402 HydrophobicContact CG-CD2 3.81Å; K388-F402 HydrophobicContact CG-CE1 3.91Å; K388-F402 HydrophobicContact CG-CE2 3.92Å; K388-F402 HydrophobicContact CG-CG 3.73Å; K388-F402 HydrophobicContact CG-CZ 3.95Å; I391-F402 HydrophobicContact CB-CB 4.42Å; I391-F402 HydrophobicContact CG1-CD2 4.47Å; I391-F402 HydrophobicContact CG2-CB 4.04Å; N400-F402 VanDerWaalsContact C-N 3.33Å; N400-F402 PolarHBondContact O-N 3.18Å; F402-R404 VanDerWaalsContact C-N 3.29Å; F402-R404 PolarHBondContact O-N 2.66Å; F402-M405 CarbonylContact O-C 3.59Å; F402-M405 PolarHBondContact O-N 3.34Å; F402-S406 WeakPolarHBondContact O-CB 3.14Å; F402-S406 PolarHBondContact O-N 2.8Å
403Q94.9Very high94.5Very high127 Ų12786.2 Ų86.259%0.59341%0.413SS*.Hα-helixtrans-60.5-39.8-179.9-170.5177.39.600112N400 R401 M405 Q409N400-Q403 PolarHBondContact O-N 3.03Å; R401-Q403 VanDerWaalsContact C-N 3.3Å; R401-Q403 PolarHBondContact O-N 3.07Å; Q403-M405 VanDerWaalsContact C-N 3.25Å; Q403-M405 PolarHBondContact O-N 3.36Å; Q403-Q409 PolarHBondContact O-NE2 2.82Å
404R94.8Very high94.7Very high105 Ų10579.5 Ų79.540%0.39640%0.398SS..Hα-helixtrans-67.5-25.5176.5-60.2-170.4-56.7-91.26.2113.3D398 N400 R401 F402 H420 D447D398-R404 IonicContact OD1-NH1 3.48Å; D398-R404 PolarHBondContact OD1-NH1 2.81Å; D398-R404 IonicContact OD1-NH2 2.73Å; D398-R404 IonicContact OD2-CZ 3.74Å; D398-R404 IonicContact OD2-NH1 3.64Å; D398-R404 IonicContact OD2-NH2 3.96Å; D398-R404 PolarHBondContact OD2-NH2 3.25Å; N400-R404 PolarHBondContact O-N 3.38Å; R401-R404 PolarHBondContact O-N 3.06Å; F402-R404 VanDerWaalsContact C-N 3.29Å; F402-R404 PolarHBondContact O-N 2.66Å; R404-H420 PolarHBondContact O-CE1 2.81Å; R404-D447 IonicContact CZ-OD2 2.66Å; R404-D447 IonicContact NE-OD2 3.59Å; R404-D447 PolarHBondContact NE-OD2 3.46Å; R404-D447 IonicContact NH2-OD1 3.33Å; R404-D447 IonicContact NH2-OD2 2.9Å; R404-D447 PolarHBondContact NH2-OD2 3.45Å
405M97.2Very high94.7Very high1 Ų173.6 Ų73.61%0.00538%0.376CS..Hα-helixtrans-107.9-6.1-174.8-57.5177.475.900113.7F387 I391 R401 F402 Q403 D447 F448 L451F387-M405 HydrophobicContact CE1-CB 3.87Å; F387-M405 HydrophobicContact CE1-CE 4.33Å; F387-M405 HydrophobicContact CZ-CB 4.47Å; F387-M405 HydrophobicContact CZ-CE 3.8Å; I391-M405 HydrophobicContact CD1-CE 3.84Å; I391-M405 HydrophobicContact CD1-SD 3.58Å; I391-M405 VanDerWaalsContact CD1-SD 3.58Å; I391-M405 HydrophobicContact CG1-SD 4.36Å; R401-M405 HydrophobicContact CG-SD 3.75Å; R401-M405 WeakPolarHBondContact O-CG 3.13Å; R401-M405 PolarHBondContact O-N 2.73Å; F402-M405 CarbonylContact O-C 3.59Å; F402-M405 PolarHBondContact O-N 3.34Å; Q403-M405 VanDerWaalsContact C-N 3.25Å; Q403-M405 PolarHBondContact O-N 3.36Å; M405-D447 HydrophobicContact CE-CB 4.14Å; M405-D447 WeakPolarHBondContact CE-O 3.24Å; M405-D447 HydrophobicContact CG-CB 3.76Å; M405-D447 HydrophobicContact SD-CB 3.68Å; M405-F448 HydrophobicContact CB-CE1 4.2Å; M405-F448 HydrophobicContact CB-CE2 4.26Å; M405-F448 HydrophobicContact CB-CZ 3.85Å; M405-F448 HydrophobicContact CE-CB 4.25Å; M405-F448 HydrophobicContact CE-CD1 3.43Å; M405-F448 VanDerWaalsContact CE-CD1 3.43Å; M405-F448 HydrophobicContact CE-CD2 4.25Å; M405-F448 HydrophobicContact CE-CE1 3.76Å; M405-F448 HydrophobicContact CE-CG 3.71Å; M405-F448 HydrophobicContact CE-CZ 4.31Å; M405-F448 HydrophobicContact CG-CE2 4.43Å; M405-F448 HydrophobicContact CG-CZ 4.43Å; M405-F448 VanDerWaalsContact O-CZ 3.3Å; M405-F448 WeakPolarHBondContact O-CZ 2.97Å; M405-L451 HydrophobicContact CE-CB 4.46Å; M405-L451 HydrophobicContact CE-CD2 4.22Å
406S97.9Very high94.9Very high7 Ų771.7 Ų71.75%0.04937%0.369CS..  trans-62.9146.3-176.9172.60000110.6D384 F402 F408 Q409 H420D384-S406 VanDerWaalsContact CG-OG 3.3Å; D384-S406 WeakPolarHBondContact OD1-CA 3.38Å; D384-S406 PolarHBondContact OD1-OG 2.87Å; D384-S406 PolarHBondContact OD2-OG 3.02Å; F402-S406 WeakPolarHBondContact O-CB 3.14Å; F402-S406 PolarHBondContact O-N 2.8Å; S406-F408 WeakPolarHBondContact CB-O 3.5Å; S406-F408 PolarHBondContact O-N 3.36Å; S406-F408 PolarHBondContact OG-N 2.67Å; S406-F408 PolarHBondContact OG-O 3.37Å; S406-F408 VanDerWaalsContact OG-O 3.12Å; S406-Q409 PolarHBondContact O-NE2 3.05Å; S406-H420 PolarHBondContact O-ND1 3.27Å
407I98.5Very high95.1Very high0 Ų066.6 Ų66.60%034%0.336CS..SBendtrans-65.3-32.3171.4-61.7167.4000110.2I380 I383 D384 V416 S417 H420 L421 I424I380-I407 HydrophobicContact CG2-CB 4.33Å; I380-I407 HydrophobicContact CG2-CD1 4.36Å; I380-I407 HydrophobicContact CG2-CG2 3.54Å; I383-I407 HydrophobicContact CB-CD1 4.4Å; I383-I407 HydrophobicContact CG2-CD1 3.76Å; D384-I407 HydrophobicContact CB-CB 4.35Å; D384-I407 HydrophobicContact CB-CD1 4.2Å; D384-I407 PolarHBondContact OD1-N 2.97Å; I407-V416 HydrophobicContact CG2-CG1 3.7Å; I407-V416 WeakPolarHBondContact O-CA 3.41Å; I407-S417 PolarHBondContact O-N 2.74Å; I407-H420 HydrophobicContact CG1-CB 4.31Å; I407-L421 HydrophobicContact CD1-CD1 4.01Å; I407-L421 HydrophobicContact CG2-CB 4.25Å; I407-I424 HydrophobicContact CD1-CD1 3.78Å; I407-I424 HydrophobicContact CG1-CD1 3.52Å
408F98.3Very high95.3Very high47 Ų4761.3 Ų61.321%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-88.8120.7175.8-62.5-89.5000109.7L366 I380 R381 D384 S406 V415 V416L366-F408 HydrophobicContact CD1-CD1 4.17Å; L366-F408 HydrophobicContact CD1-CE1 3.69Å; L366-F408 HydrophobicContact CD2-CD1 4.28Å; L366-F408 HydrophobicContact CD2-CE1 4.44Å; I380-F408 HydrophobicContact CB-CZ 4.22Å; I380-F408 HydrophobicContact CG2-CE2 3.78Å; I380-F408 HydrophobicContact CG2-CZ 3.64Å; R381-F408 HydrophobicContact CB-CE2 4.34Å; R381-F408 HydrophobicContact CB-CZ 4.25Å; R381-F408 HydrophobicContact CG-CE1 4.12Å; R381-F408 HydrophobicContact CG-CE2 3.79Å; R381-F408 HydrophobicContact CG-CZ 3.37Å; D384-F408 HydrophobicContact CB-CD2 3.97Å; D384-F408 HydrophobicContact CB-CE2 3.9Å; S406-F408 WeakPolarHBondContact CB-O 3.5Å; S406-F408 PolarHBondContact O-N 3.36Å; S406-F408 PolarHBondContact OG-N 2.67Å; S406-F408 PolarHBondContact OG-O 3.37Å; S406-F408 VanDerWaalsContact OG-O 3.12Å; F408-V415 WeakPolarHBondContact CA-O 3.5Å; F408-V416 HydrophobicContact CD1-CG2 3.98Å; F408-V416 HydrophobicContact CE1-CG2 3.78Å
409Q96.4Very high95.4Very high45 Ų4559.2 Ų59.221%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-122.8163.4-178.8-65.6-66.3-4600109.6Q403 S406 V415Q403-Q409 PolarHBondContact O-NE2 2.82Å; S406-Q409 PolarHBondContact O-NE2 3.05Å; Q409-V415 HydrophobicContact CB-CG2 3.93Å; Q409-V415 PolarHBondContact N-O 2.99Å; Q409-V415 PolarHBondContact O-N 3.49Å
410E93.4Very high95.9Very high159 Ų15951.6 Ų51.674%0.74325%0.252SS*.EExtended strand (participates in β ladder)trans-121.5104.9176.4-165.7169-177.700108.9
411I88.4Confident96.1Very high69 Ų6947 Ų4735%0.35423%0.228SC..SBendtrans-126.983.3-177.9-54.2-179.9000107.5Y363 E413 V415Y363-I411 HydrophobicContact CD1-CD1 3.78Å; Y363-I411 HydrophobicContact CD2-CD1 3.73Å; Y363-I411 HydrophobicContact CE1-CD1 3.52Å; Y363-I411 HydrophobicContact CE2-CD1 3.46Å; Y363-I411 VanDerWaalsContact CE2-CD1 3.46Å; Y363-I411 HydrophobicContact CG-CD1 3.87Å; I411-E413 PolarHBondContact N-O 3.4Å; I411-E413 PolarHBondContact O-N 3.35Å; I411-V415 HydrophobicContact CB-CG2 4.24Å; I411-V415 HydrophobicContact CD1-CG2 4.06Å; I411-V415 HydrophobicContact CG1-CG2 3.99Å
412N90.3Very high96.3Very high172 Ų17245.5 Ų45.592%0.9222%0.222SC*.SBendtrans63.6-32-167.1-46.4-59.2000114.5
413E94.7Very high96.4Very high97 Ų9744.2 Ų44.245%0.45322%0.216SC..SBendtrans-139.4163.4172.664.5-176.3153.800110.1I411 V415I411-E413 PolarHBondContact N-O 3.4Å; I411-E413 PolarHBondContact O-N 3.35Å; E413-V415 HydrophobicContact CG-CG1 3.98Å; E413-V415 PolarHBondContact O-N 3.28Å
414P97.5Very high96.5Very high75 Ų7538.5 Ų38.549%0.48719%0.19SC..EExtended strand (participates in β ladder)trans-63.8125.5172.5-22.434.4000111.7L366L366-P414 HydrophobicContact CB-CB 4.12Å; L366-P414 WeakPolarHBondContact CB-O 3.42Å; L366-P414 HydrophobicContact CD2-CB 4.14Å; L366-P414 PolarHBondContact N-O 2.83Å
415V97.5Very high96.7Very high7 Ų733.5 Ų33.54%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-133.7161.5-178.2-61.40000112.2Y363 W364 F408 Q409 I411 E413Y363-V415 HydrophobicContact CD1-CB 4.5Å; Y363-V415 HydrophobicContact CD1-CG2 3.74Å; Y363-V415 HydrophobicContact CG-CG2 4.09Å; W364-V415 CarbonylContact O-C 3.56Å; W364-V415 VanDerWaalsContact O-CA 3.26Å; W364-V415 WeakPolarHBondContact O-CA 3.32Å; W364-V415 WeakPolarHBondContact O-CB 3.46Å; F408-V415 WeakPolarHBondContact CA-O 3.5Å; Q409-V415 HydrophobicContact CB-CG2 3.93Å; Q409-V415 PolarHBondContact N-O 2.99Å; Q409-V415 PolarHBondContact O-N 3.49Å; I411-V415 HydrophobicContact CB-CG2 4.24Å; I411-V415 HydrophobicContact CD1-CG2 4.06Å; I411-V415 HydrophobicContact CG1-CG2 3.99Å; E413-V415 HydrophobicContact CG-CG1 3.98Å; E413-V415 PolarHBondContact O-N 3.28Å
416V98.4Very high96.7Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-108.2119.5174179.10000109.1Y363 W364 L366 L369 I380 I407 F408 M418Y363-V416 WeakPolarHBondContact CA-O 3.47Å; W364-V416 PolarHBondContact N-O 3Å; W364-V416 VanDerWaalsContact N-O 3.08Å; W364-V416 PolarHBondContact O-N 2.92Å; L366-V416 HydrophobicContact CD1-CG2 3.94Å; L369-V416 HydrophobicContact CD2-CB 4.08Å; L369-V416 HydrophobicContact CD2-CG1 4.14Å; L369-V416 HydrophobicContact CD2-CG2 3.81Å; I380-V416 HydrophobicContact CD1-CG1 4.43Å; I380-V416 HydrophobicContact CG2-CG1 4.28Å; I407-V416 HydrophobicContact CG2-CG1 3.7Å; I407-V416 WeakPolarHBondContact O-CA 3.41Å; F408-V416 HydrophobicContact CD1-CG2 3.98Å; F408-V416 HydrophobicContact CE1-CG2 3.78Å; V416-M418 HydrophobicContact CB-CE 4.05Å; V416-M418 HydrophobicContact CG1-CE 3.54Å; V416-M418 HydrophobicContact CG1-SD 4.46Å; V416-M418 PolarHBondContact O-N 2.87Å
417S97.9Very high96.6Very high0 Ų035.7 Ų35.70%018%0.18CC..EExtended strand (participates in β ladder)trans-79110.7176.6178.40000110.8I407 H420 L421I407-S417 PolarHBondContact O-N 2.74Å; S417-H420 PolarHBondContact O-N 2.51Å; S417-H420 PolarHBondContact OG-CD2 3.47Å; S417-H420 PolarHBondContact OG-N 3Å; S417-L421 PolarHBondContact O-N 3.3Å; S417-L421 VanDerWaalsContact O-N 3.12Å
418M98.2Very high96.6Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-74.9-29.9-179.6-65.1-61.7157.900112T317 A320 L321 K362 W364 L369 V416 L421 C422T317-M418 HydrophobicContact CG2-CB 4.33Å; A320-M418 HydrophobicContact CB-CB 3.98Å; A320-M418 HydrophobicContact CB-CG 4.44Å; A320-M418 HydrophobicContact CB-SD 3.99Å; L321-M418 HydrophobicContact CD2-CE 4.18Å; L321-M418 HydrophobicContact CD2-SD 4.49Å; K362-M418 HydrophobicContact CB-CB 4.28Å; K362-M418 HydrophobicContact CD-CB 4.48Å; K362-M418 HydrophobicContact CD-CG 4.49Å; K362-M418 HydrophobicContact CG-CB 4.44Å; K362-M418 HydrophobicContact CG-CG 4.42Å; K362-M418 PolarHBondContact O-N 3.43Å; W364-M418 HydrophobicContact CB-CE 4.16Å; W364-M418 HydrophobicContact CG-CE 4.03Å; L369-M418 HydrophobicContact CD2-CE 4.01Å; V416-M418 HydrophobicContact CB-CE 4.05Å; V416-M418 HydrophobicContact CG1-CE 3.54Å; V416-M418 HydrophobicContact CG1-SD 4.46Å; V416-M418 PolarHBondContact O-N 2.87Å; M418-L421 PolarHBondContact O-N 3.28Å; M418-L421 HydrophobicContact SD-CD2 3.91Å; M418-C422 WeakPolarHBondContact O-CB 3.35Å; M418-C422 PolarHBondContact O-N 2.91Å; M418-C422 PolarHBondContact O-SG 2.51Å
419D97Very high96.5Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-62-46.3171.7-68.6-92.7000111.4T317 N353 L361 K362 L421 C422 I423 F445T317-D419 HydrophobicContact CG2-CB 4.21Å; T317-D419 VanDerWaalsContact CG2-CG 3.44Å; T317-D419 WeakPolarHBondContact CG2-OD1 3.48Å; N353-D419 PolarHBondContact ND2-OD1 3.47Å; L361-D419 HydrophobicContact CD2-CB 4.17Å; L361-D419 VanDerWaalsContact CD2-CG 3.46Å; K362-D419 PolarHBondContact N-OD2 2.71Å; D419-L421 PolarHBondContact O-N 3.01Å; D419-C422 PolarHBondContact O-N 3.2Å; D419-I423 WeakPolarHBondContact O-CD1 3.16Å; D419-I423 VanDerWaalsContact O-CG1 3.25Å; D419-I423 WeakPolarHBondContact O-CG1 3.15Å; D419-I423 PolarHBondContact O-N 3.42Å; D419-F445 HydrophobicContact CB-CE1 4.14Å; D419-F445 HydrophobicContact CB-CZ 3.81Å
420H97.8Very high96.6Very high15 Ų1532.9 Ų32.97%0.06917%0.168CC..Hα-helixtrans-64.9-42.5178.2-66.2-175.6000111.2R404 S406 I407 S417 C422 I423 I424 F448R404-H420 PolarHBondContact O-CE1 2.81Å; S406-H420 PolarHBondContact O-ND1 3.27Å; I407-H420 HydrophobicContact CG1-CB 4.31Å; S417-H420 PolarHBondContact O-N 2.51Å; S417-H420 PolarHBondContact OG-CD2 3.47Å; S417-H420 PolarHBondContact OG-N 3Å; H420-C422 VanDerWaalsContact C-N 3.34Å; H420-C422 PolarHBondContact O-N 3.43Å; H420-I423 PolarHBondContact O-N 3Å; H420-I424 WeakPolarHBondContact O-CB 3.27Å; H420-I424 WeakPolarHBondContact O-CD1 3.39Å; H420-I424 VanDerWaalsContact O-CG1 3.28Å; H420-I424 WeakPolarHBondContact O-CG1 3.43Å; H420-I424 PolarHBondContact O-N 2.84Å; H420-F448 HydrophobicContact CB-CZ 4.03Å; H420-F448 AromaticContact CD2-CE2 3.6Å; H420-F448 AromaticContact CD2-CZ 3.92Å; H420-F448 AromaticContact CG-CE2 3.95Å; H420-F448 AromaticContact CG-CZ 3.78Å; H420-F448 AromaticContact NE2-CE2 3.8Å
421L98.5Very high96.8Very high0 Ų025.4 Ų25.40%013%0.133CC..Hα-helixtrans-56.7-47.8174.3178.461.6000111.3A320 I323 P324 I380 I383 I407 S417 M418 D419 I424 G425A320-L421 HydrophobicContact CB-CD2 4.4Å; I323-L421 HydrophobicContact CD1-CG 4.33Å; I323-L421 WeakPolarHBondContact CD1-O 3.34Å; I323-L421 HydrophobicContact CG2-CD1 4.09Å; P324-L421 HydrophobicContact CG-CD2 4.29Å; I380-L421 HydrophobicContact CD1-CD2 4.35Å; I380-L421 HydrophobicContact CG1-CD1 4.47Å; I380-L421 HydrophobicContact CG1-CD2 4.43Å; I383-L421 HydrophobicContact CD1-CD1 4.39Å; I407-L421 HydrophobicContact CD1-CD1 4.01Å; I407-L421 HydrophobicContact CG2-CB 4.25Å; S417-L421 PolarHBondContact O-N 3.3Å; S417-L421 VanDerWaalsContact O-N 3.12Å; M418-L421 PolarHBondContact O-N 3.28Å; M418-L421 HydrophobicContact SD-CD2 3.91Å; D419-L421 PolarHBondContact O-N 3.01Å; L421-I424 PolarHBondContact O-N 2.89Å; L421-G425 PolarHBondContact O-N 3.21Å
422C98.2Very high97.2Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-59.7-46.3176.5-82.30000112.9A320 H351 M418 D419 H420 I424 S426A320-C422 WeakPolarHBondContact CB-SG 3.49Å; H351-C422 HydrophobicContact CB-CB 4.2Å; M418-C422 WeakPolarHBondContact O-CB 3.35Å; M418-C422 PolarHBondContact O-N 2.91Å; M418-C422 PolarHBondContact O-SG 2.51Å; D419-C422 PolarHBondContact O-N 3.2Å; H420-C422 VanDerWaalsContact C-N 3.34Å; H420-C422 PolarHBondContact O-N 3.43Å; C422-I424 PolarHBondContact O-N 2.69Å; C422-S426 WeakPolarHBondContact O-CB 3.2Å; C422-S426 PolarHBondContact O-N 3.41Å; C422-S426 PolarHBondContact O-OG 3.3Å
423I97.9Very high97.4Very high1 Ų114 Ų141%0.0057%0.072CC..Hα-helixtrans-64-42.2-178.9-66.8162.5000111.2D419 H420 V429 F445 F448 K455 F456D419-I423 WeakPolarHBondContact O-CD1 3.16Å; D419-I423 VanDerWaalsContact O-CG1 3.25Å; D419-I423 WeakPolarHBondContact O-CG1 3.15Å; D419-I423 PolarHBondContact O-N 3.42Å; H420-I423 PolarHBondContact O-N 3Å; I423-V429 HydrophobicContact CB-CG2 4.33Å; I423-V429 HydrophobicContact CG1-CG1 4.41Å; I423-V429 HydrophobicContact CG1-CG2 4.08Å; I423-V429 HydrophobicContact CG2-CG2 4.38Å; I423-F445 HydrophobicContact CD1-CB 4.23Å; I423-F445 HydrophobicContact CD1-CD1 3.6Å; I423-F445 HydrophobicContact CD1-CD2 3.81Å; I423-F445 HydrophobicContact CD1-CE1 3.81Å; I423-F445 HydrophobicContact CD1-CE2 3.98Å; I423-F445 HydrophobicContact CD1-CG 3.61Å; I423-F445 HydrophobicContact CD1-CZ 3.99Å; I423-F448 HydrophobicContact CB-CD1 4.4Å; I423-F448 HydrophobicContact CD1-CD2 4.21Å; I423-F448 HydrophobicContact CD1-CE2 4.45Å; I423-F448 HydrophobicContact CD1-CG 4.45Å; I423-F448 HydrophobicContact CG2-CB 3.91Å; I423-F448 HydrophobicContact CG2-CD1 3.49Å; I423-F448 VanDerWaalsContact CG2-CD1 3.49Å; I423-F448 HydrophobicContact CG2-CD2 4.49Å; I423-F448 HydrophobicContact CG2-CE1 4.07Å; I423-F448 HydrophobicContact CG2-CG 3.73Å; I423-K455 PolarHBondContact O-NZ 3.08Å; I423-F456 HydrophobicContact CG2-CZ 4.1Å
424I98.1Very high97.4Very high8 Ų812.9 Ų12.94%0.0417%0.069CC..Hα-helixtrans-69.6-46.1180-67.7162.9000110.4W342 I383 F387 I407 H420 L421 C422 F448W342-I424 HydrophobicContact CH2-CG2 4.1Å; W342-I424 HydrophobicContact CZ2-CG2 3.96Å; I383-I424 HydrophobicContact CG2-CG2 3.91Å; F387-I424 HydrophobicContact CB-CD1 4.49Å; F387-I424 HydrophobicContact CD1-CD1 3.43Å; F387-I424 VanDerWaalsContact CD1-CD1 3.43Å; F387-I424 HydrophobicContact CD1-CG1 4.06Å; F387-I424 HydrophobicContact CD2-CD1 4.4Å; F387-I424 HydrophobicContact CD2-CG1 4.21Å; F387-I424 HydrophobicContact CD2-CG2 4.31Å; F387-I424 HydrophobicContact CE1-CD1 3.58Å; F387-I424 HydrophobicContact CE1-CG1 3.94Å; F387-I424 HydrophobicContact CE2-CG1 4.13Å; F387-I424 HydrophobicContact CG-CD1 3.86Å; F387-I424 HydrophobicContact CG-CG1 4.17Å; F387-I424 HydrophobicContact CG-CG2 4.37Å; F387-I424 HydrophobicContact CZ-CD1 4.14Å; F387-I424 HydrophobicContact CZ-CG1 3.97Å; I407-I424 HydrophobicContact CD1-CD1 3.78Å; I407-I424 HydrophobicContact CG1-CD1 3.52Å; H420-I424 WeakPolarHBondContact O-CB 3.27Å; H420-I424 WeakPolarHBondContact O-CD1 3.39Å; H420-I424 VanDerWaalsContact O-CG1 3.28Å; H420-I424 WeakPolarHBondContact O-CG1 3.43Å; H420-I424 PolarHBondContact O-N 2.84Å; L421-I424 PolarHBondContact O-N 2.89Å; C422-I424 PolarHBondContact O-N 2.69Å; I424-F448 HydrophobicContact CD1-CE1 4.15Å; I424-F448 HydrophobicContact CG1-CE1 3.85Å
425G97.8Very high97.1Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-83.5-3.8-17500000116.3L421L421-G425 PolarHBondContact O-N 3.21Å
426S97.8Very high97Very high1 Ų111.4 Ų11.41%0.0075%0.054CC..  trans-111.5144.5179.3-54.40000112.3F349 C422 K455F349-S426 VanDerWaalsContact O-CA 3.28Å; F349-S426 WeakPolarHBondContact O-CA 3.29Å; F349-S426 WeakPolarHBondContact O-CB 3.41Å; C422-S426 WeakPolarHBondContact O-CB 3.2Å; C422-S426 PolarHBondContact O-N 3.41Å; C422-S426 PolarHBondContact O-OG 3.3Å; S426-K455 WeakPolarHBondContact O-CD 3.37Å; S426-K455 WeakPolarHBondContact O-CE 3.4Å; S426-K455 PolarHBondContact O-NZ 3.3Å
427H96.5Very high96.8Very high52 Ų5211.8 Ų11.824%0.2416%0.057CC..SBendtrans-82.8-21.2176.259-79.5000113.5S346 R347 F349 T350S346-H427 VanDerWaalsContact O-CB 3.27Å; S346-H427 WeakPolarHBondContact O-CB 3.44Å; S346-H427 PolarHBondContact O-N 2.85Å; S346-H427 PolarHBondContact O-ND1 3.06Å; R347-H427 PolarHBondContact O-CE1 3.39Å; R347-H427 PolarHBondContact O-ND1 3.44Å; R347-H427 VanDerWaalsContact O-ND1 3.09Å; F349-H427 PolarHBondContact O-CE1 3.26Å; F349-H427 PolarHBondContact O-N 3.38Å; F349-H427 PolarHBondContact O-ND1 3.01Å; T350-H427 WeakPolarHBondContact CG2-CE1 3.39Å; T350-H427 VanDerWaalsContact CG2-NE2 3.3Å; T350-H427 WeakPolarHBondContact CG2-NE2 3.46Å
428F97.7Very high96.6Very high33 Ų3315.7 Ų15.715%0.1458%0.077CC..EExtended strand (participates in β ladder)trans-129.9140.5168.8-75.5-68000111.1T350 H351 T457 I802T350-F428 HydrophobicContact CG2-CB 4.18Å; T350-F428 HydrophobicContact CG2-CD2 4.47Å; H351-F428 PolarHBondContact N-O 3.48Å; F428-T457 HydrophobicContact CD1-CG2 4.1Å; F428-T457 HydrophobicContact CE1-CG2 4.33Å; F428-I802 HydrophobicContact CB-CG1 4.42Å; F428-I802 HydrophobicContact CB-CG2 3.93Å; F428-I802 HydrophobicContact CD2-CB 4.27Å; F428-I802 HydrophobicContact CD2-CG1 4.41Å; F428-I802 HydrophobicContact CD2-CG2 3.89Å; F428-I802 HydrophobicContact CG-CG1 4.26Å; F428-I802 HydrophobicContact CG-CG2 4.15Å
429V97.5Very high96.3Very high0 Ų018.2 Ų18.20%09%0.089CC..EExtended strand (participates in β ladder)trans-124.4132.3170.9177.90000107.5H351 I423 K455 F456 T457H351-V429 CarbonylContact O-C 3.43Å; H351-V429 VanDerWaalsContact O-CA 3.28Å; H351-V429 WeakPolarHBondContact O-CA 3.44Å; I423-V429 HydrophobicContact CB-CG2 4.33Å; I423-V429 HydrophobicContact CG1-CG1 4.41Å; I423-V429 HydrophobicContact CG1-CG2 4.08Å; I423-V429 HydrophobicContact CG2-CG2 4.38Å; V429-K455 HydrophobicContact CB-CG 4.38Å; V429-K455 HydrophobicContact CG2-CD 4.09Å; V429-K455 HydrophobicContact CG2-CG 4.03Å; V429-K455 PolarHBondContact N-O 3.01Å; V429-F456 HydrophobicContact CB-CD1 4.3Å; V429-F456 HydrophobicContact CB-CE1 4.31Å; V429-F456 HydrophobicContact CG1-CD1 4.09Å; V429-F456 HydrophobicContact CG1-CE1 3.92Å; V429-F456 CarbonylContact O-C 3.51Å; V429-F456 VanDerWaalsContact O-CA 3.29Å; V429-F456 WeakPolarHBondContact O-CA 3.32Å; V429-T457 PolarHBondContact O-N 3.49Å
430N97.7Very high96.2Very high1 Ų118.3 Ų18.31%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-134.2150.2177.268.8-92.6000114H351 T352 N353 T457 K459 Y798 I802H351-N430 PolarHBondContact O-N 2.93Å; H351-N430 PolarHBondContact O-OD1 3.23Å; T352-N430 WeakPolarHBondContact CG2-ND2 3.39Å; T352-N430 PolarHBondContact OG1-ND2 2.92Å; T352-N430 VanDerWaalsContact OG1-ND2 3.08Å; T352-N430 PolarHBondContact OG1-OD1 3.45Å; T352-N430 VanDerWaalsContact OG1-OD1 3.07Å; N353-N430 PolarHBondContact N-O 3.2Å; N430-T457 WeakPolarHBondContact CA-O 3.48Å; N430-T457 WeakPolarHBondContact CB-O 3.43Å; N430-T457 WeakPolarHBondContact CB-OG1 3.44Å; N430-K459 HydrophobicContact CB-CG 4.47Å; N430-Y798 PolarHBondContact ND2-OH 3.49Å; N430-Y798 WeakPolarHBondContact OD1-CE1 3.32Å; N430-I802 HydrophobicContact CB-CD1 4.26Å
431G96.8Very high96.1Very high1 Ų119.8 Ų19.81%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-90.9176.5164.400000112.2T437 T457 K459G431-T437 VanDerWaalsContact CA-OG1 3.3Å; G431-T437 WeakPolarHBondContact CA-OG1 3.22Å; G431-T457 PolarHBondContact N-O 3.34Å; G431-T457 VanDerWaalsContact N-O 3.11Å; G431-K459 PolarHBondContact O-N 3.17Å; G431-K459 VanDerWaalsContact O-N 3.08Å
432V97Very high95.9Very high1 Ų124.7 Ų24.71%0.00612%0.124CC..SBendtrans-115.9-0.6-169.6-65.40000114.8T352 K459 T460 N461 A651 S652T352-V432 HydrophobicContact CG2-CG1 3.48Å; T352-V432 VanDerWaalsContact CG2-CG1 3.48Å; V432-K459 WeakPolarHBondContact CA-O 3.31Å; V432-T460 VanDerWaalsContact O-CA 3.32Å; V432-T460 WeakPolarHBondContact O-CA 3.42Å; V432-N461 PolarHBondContact O-N 3.19Å; V432-A651 HydrophobicContact CG2-CB 3.78Å; V432-S652 WeakPolarHBondContact O-CB 3.49Å
433S96Very high95.6Very high0 Ų029 Ų290%015%0.15CC..SBendtrans-152.6157.7165.571.70000108.7F435 Q436 T437 N458 A651 E676S433-F435 PolarHBondContact O-N 3.25Å; S433-Q436 PolarHBondContact O-N 3.45Å; S433-Q436 WeakPolarHBondContact OG-CB 3.47Å; S433-Q436 PolarHBondContact OG-N 3.27Å; S433-Q436 VanDerWaalsContact OG-N 3.11Å; S433-T437 WeakPolarHBondContact O-CB 3.11Å; S433-T437 PolarHBondContact O-N 3.3Å; S433-T437 PolarHBondContact O-OG1 2.9Å; S433-T437 VanDerWaalsContact O-OG1 3.09Å; S433-N458 PolarHBondContact O-ND2 3.27Å; S433-A651 VanDerWaalsContact CB-O 3.26Å; S433-A651 WeakPolarHBondContact CB-O 3.26Å; S433-A651 PolarHBondContact OG-O 2.71Å; S433-E676 WeakPolarHBondContact CB-OE2 3.27Å
434I94.1Very high95.3Very high74 Ų7430.4 Ų30.438%0.37916%0.157SC..Hα-helixtrans-58.3-43.3-179.4-65.3171.1000110.4T437 N438 N458 E676I434-T437 PolarHBondContact O-N 2.96Å; I434-N438 PolarHBondContact O-N 3.39Å; I434-N438 PolarHBondContact O-ND2 3.08Å; I434-N458 PolarHBondContact N-ND2 2.99Å; I434-E676 HydrophobicContact CD1-CG 4.43Å
435F91.4Very high95.2Very high49 Ų4930.2 Ų30.222%0.21516%0.156CC..Hα-helixtrans-60.7-48.6179177.4-98.4000112.1S433 N438 H439 I675 I693S433-F435 PolarHBondContact O-N 3.25Å; F435-N438 PolarHBondContact O-N 2.99Å; F435-H439 PolarHBondContact O-N 2.78Å; F435-I675 HydrophobicContact CB-CD1 3.77Å; F435-I675 HydrophobicContact CD1-CD1 4.47Å; F435-I675 HydrophobicContact CD2-CD1 3.59Å; F435-I675 HydrophobicContact CE2-CD1 4.31Å; F435-I675 HydrophobicContact CG-CD1 3.69Å; F435-I693 HydrophobicContact CE2-CB 4.46Å; F435-I693 HydrophobicContact CE2-CG2 4.35Å; F435-I693 HydrophobicContact CZ-CB 4.33Å; F435-I693 HydrophobicContact CZ-CD1 4.33Å; F435-I693 HydrophobicContact CZ-CG1 4.15Å
436Q93.9Very high95.1Very high2 Ų234.6 Ų34.61%0.00918%0.175CC..Hα-helixtrans-68.2-40179.2-178.5-114.613.400111.6N353 V355 S433 N438 H439 L440 A651N353-Q436 PolarHBondContact O-NE2 3Å; N353-Q436 PolarHBondContact OD1-NE2 3.41Å; V355-Q436 PolarHBondContact O-NE2 3.28Å; S433-Q436 PolarHBondContact O-N 3.45Å; S433-Q436 WeakPolarHBondContact OG-CB 3.47Å; S433-Q436 PolarHBondContact OG-N 3.27Å; S433-Q436 VanDerWaalsContact OG-N 3.11Å; Q436-N438 VanDerWaalsContact C-N 3.3Å; Q436-N438 PolarHBondContact O-N 3.14Å; Q436-H439 WeakPolarHBondContact O-CB 3.41Å; Q436-H439 PolarHBondContact O-N 2.9Å; Q436-L440 HydrophobicContact CG-CG 4.49Å; Q436-L440 WeakPolarHBondContact O-CG 3.5Å; Q436-L440 PolarHBondContact O-N 3.49Å; Q436-A651 HydrophobicContact CB-CB 4.29Å; Q436-A651 VanDerWaalsContact CB-O 3.31Å; Q436-A651 WeakPolarHBondContact CB-O 3.44Å; Q436-A651 HydrophobicContact CG-CB 3.77Å
437T95.2Very high95.1Very high8 Ų835.9 Ų35.95%0.04918%0.182CC..Hα-helixtrans-57.4-43.9173.7-61.60000111.7G431 S433 I434 H439 L440 I441 T457 N458G431-T437 VanDerWaalsContact CA-OG1 3.3Å; G431-T437 WeakPolarHBondContact CA-OG1 3.22Å; S433-T437 WeakPolarHBondContact O-CB 3.11Å; S433-T437 PolarHBondContact O-N 3.3Å; S433-T437 PolarHBondContact O-OG1 2.9Å; S433-T437 VanDerWaalsContact O-OG1 3.09Å; I434-T437 PolarHBondContact O-N 2.96Å; T437-H439 VanDerWaalsContact C-N 3.3Å; T437-H439 PolarHBondContact O-N 2.9Å; T437-L440 WeakPolarHBondContact O-CB 3.44Å; T437-L440 PolarHBondContact O-N 3.48Å; T437-I441 HydrophobicContact CG2-CD1 3.82Å; T437-I441 WeakPolarHBondContact O-CG1 3.34Å; T437-I441 PolarHBondContact O-N 2.75Å; T437-T457 WeakPolarHBondContact CG2-O 3.34Å; T437-N458 HydrophobicContact CG2-CB 4.01Å; T437-N458 WeakPolarHBondContact OG1-CB 3.49Å; T437-N458 PolarHBondContact OG1-ND2 3.46Å
438N94.1Very high95.1Very high82 Ų8233.6 Ų33.644%0.43917%0.171SC..Hα-helixtrans-63.8-36.5176.1-73-21.1000112.1I434 F435 Q436 N442I434-N438 PolarHBondContact O-N 3.39Å; I434-N438 PolarHBondContact O-ND2 3.08Å; F435-N438 PolarHBondContact O-N 2.99Å; Q436-N438 VanDerWaalsContact C-N 3.3Å; Q436-N438 PolarHBondContact O-N 3.14Å; N438-N442 WeakPolarHBondContact O-CB 3.23Å; N438-N442 PolarHBondContact O-N 2.73Å; N438-N442 PolarHBondContact O-ND2 2.8Å
439H92Very high95.1Very high55 Ų5532.3 Ų32.326%0.25517%0.167SC..Hα-helixtrans-66.1-41.4174.7-172.268.2000112.2S356 F435 Q436 T437 I441 V443 L444S356-H439 PolarHBondContact O-CD2 3.45Å; S356-H439 PolarHBondContact O-NE2 3.03Å; F435-H439 PolarHBondContact O-N 2.78Å; Q436-H439 WeakPolarHBondContact O-CB 3.41Å; Q436-H439 PolarHBondContact O-N 2.9Å; T437-H439 VanDerWaalsContact C-N 3.3Å; T437-H439 PolarHBondContact O-N 2.9Å; H439-I441 PolarHBondContact O-N 3.02Å; H439-V443 WeakPolarHBondContact O-CA 3.48Å; H439-V443 WeakPolarHBondContact O-CB 3.3Å; H439-V443 PolarHBondContact O-N 3.14Å; H439-L444 PolarHBondContact O-N 3.43Å; H439-L444 VanDerWaalsContact O-N 3.15Å
440L93.9Very high95Very high2 Ų235.2 Ų35.21%0.0118%0.183CC..Iπ-helixtrans-59.3-47.4174.9-66.4171.3000111.2N353 Q436 T437 L444 F445N353-L440 HydrophobicContact CB-CD1 4.11Å; N353-L440 WeakPolarHBondContact OD1-CD2 3.48Å; Q436-L440 HydrophobicContact CG-CG 4.49Å; Q436-L440 WeakPolarHBondContact O-CG 3.5Å; Q436-L440 PolarHBondContact O-N 3.49Å; T437-L440 WeakPolarHBondContact O-CB 3.44Å; T437-L440 PolarHBondContact O-N 3.48Å; L440-L444 HydrophobicContact CD2-CB 4.46Å; L440-L444 HydrophobicContact CD2-CD1 3.89Å; L440-F445 HydrophobicContact CB-CD2 4.3Å; L440-F445 HydrophobicContact CD2-CD2 3.67Å; L440-F445 HydrophobicContact CD2-CE2 3.55Å; L440-F445 CarbonylContact O-C 3.51Å; L440-F445 WeakPolarHBondContact O-CA 3.19Å; L440-F445 WeakPolarHBondContact O-CB 3.42Å; L440-F445 PolarHBondContact O-N 3.25Å
441I95.6Very high95Very high45 Ų4536.1 Ų36.123%0.23119%0.187CC..Iπ-helixtrans-70.4-41.1-176.7-70170.3000112.3T437 H439 K446 A449 F456T437-I441 HydrophobicContact CG2-CD1 3.82Å; T437-I441 WeakPolarHBondContact O-CG1 3.34Å; T437-I441 PolarHBondContact O-N 2.75Å; H439-I441 PolarHBondContact O-N 3.02Å; I441-K446 VanDerWaalsContact O-CA 3.26Å; I441-K446 WeakPolarHBondContact O-CA 3.48Å; I441-A449 HydrophobicContact CB-CB 4.38Å; I441-A449 HydrophobicContact CG2-CB 3.95Å; I441-F456 HydrophobicContact CD1-CB 3.85Å; I441-F456 HydrophobicContact CG1-CB 3.72Å; I441-F456 HydrophobicContact CG1-CD1 4.15Å; I441-F456 HydrophobicContact CG1-CG 4.08Å
442N94.5Very high95Very high104 Ų10439.3 Ų39.356%0.55620%0.199SC*.Iπ-helixtrans-97.5-18.2-169.9-63.1-60.5000113.9N438N438-N442 WeakPolarHBondContact O-CB 3.23Å; N438-N442 PolarHBondContact O-N 2.73Å; N438-N442 PolarHBondContact O-ND2 2.8Å
443V91.5Very high94.9Very high90 Ų9043.9 Ų43.955%0.54523%0.229SC..Iπ-helixtrans-126.2-67.7-172.8-171.70000111.8H439H439-V443 WeakPolarHBondContact O-CA 3.48Å; H439-V443 WeakPolarHBondContact O-CB 3.3Å; H439-V443 PolarHBondContact O-N 3.14Å
444L92.4Very high94.8Very high31 Ų3148.6 Ų48.616%0.16226%0.262CS..Iπ-helixtrans-70.3-45.7-168.8-68.4175.3000113V358 H439 L440V358-L444 HydrophobicContact CB-CD2 4.47Å; V358-L444 HydrophobicContact CG2-CD2 3.38Å; H439-L444 PolarHBondContact O-N 3.43Å; H439-L444 VanDerWaalsContact O-N 3.15Å; L440-L444 HydrophobicContact CD2-CB 4.46Å; L440-L444 HydrophobicContact CD2-CD1 3.89Å
445F95.5Very high94.9Very high3 Ų346.2 Ų46.21%0.01325%0.249CC..THydrogen-bonded Turntrans-121.733.7-174-56.7-51.7000111.7L361 D419 I423 L440 D447 F448 A449 F456L361-F445 HydrophobicContact CD2-CE1 4.27Å; L361-F445 HydrophobicContact CD2-CZ 3.69Å; D419-F445 HydrophobicContact CB-CE1 4.14Å; D419-F445 HydrophobicContact CB-CZ 3.81Å; I423-F445 HydrophobicContact CD1-CB 4.23Å; I423-F445 HydrophobicContact CD1-CD1 3.6Å; I423-F445 HydrophobicContact CD1-CD2 3.81Å; I423-F445 HydrophobicContact CD1-CE1 3.81Å; I423-F445 HydrophobicContact CD1-CE2 3.98Å; I423-F445 HydrophobicContact CD1-CG 3.61Å; I423-F445 HydrophobicContact CD1-CZ 3.99Å; L440-F445 HydrophobicContact CB-CD2 4.3Å; L440-F445 HydrophobicContact CD2-CD2 3.67Å; L440-F445 HydrophobicContact CD2-CE2 3.55Å; L440-F445 CarbonylContact O-C 3.51Å; L440-F445 WeakPolarHBondContact O-CA 3.19Å; L440-F445 WeakPolarHBondContact O-CB 3.42Å; L440-F445 PolarHBondContact O-N 3.25Å; F445-D447 VanDerWaalsContact C-N 3.34Å; F445-D447 PolarHBondContact O-N 3.22Å; F445-F448 HydrophobicContact CB-CB 4.32Å; F445-F448 HydrophobicContact CB-CD2 4.18Å; F445-F448 HydrophobicContact CD1-CD2 4.23Å; F445-F448 WeakPolarHBondContact O-CB 3.3Å; F445-F448 PolarHBondContact O-N 3.01Å; F445-A449 PolarHBondContact O-N 3.11Å; F445-F456 HydrophobicContact CB-CE1 4Å; F445-F456 HydrophobicContact CB-CZ 4.02Å; F445-F456 HydrophobicContact CD2-CE1 4.4Å
446K96Very high95.2Very high93 Ų9344.6 Ų44.640%0.40424%0.242SC..Hα-helixtrans-53.3-48.2-176.3-168.5-158.7172.7-54.70112.8I441 F448 A449 D450I441-K446 VanDerWaalsContact O-CA 3.26Å; I441-K446 WeakPolarHBondContact O-CA 3.48Å; K446-F448 VanDerWaalsContact C-N 3.25Å; K446-F448 PolarHBondContact O-N 3.38Å; K446-A449 PolarHBondContact O-N 2.87Å; K446-A449 VanDerWaalsContact O-N 3.15Å; K446-D450 IonicContact NZ-OD1 2.62Å; K446-D450 PolarHBondContact NZ-OD1 2.92Å; K446-D450 IonicContact NZ-OD2 2.85Å; K446-D450 PolarHBondContact NZ-OD2 2.88Å; K446-D450 PolarHBondContact O-N 2.85Å
447D96.8Very high95.3Very high27 Ų2746 Ų4614%0.14425%0.251CS..Hα-helixtrans-64.4-31.6-179-75.4-14.8000112R401 R404 M405 F445 L451R401-D447 IonicContact CZ-OD1 2.8Å; R401-D447 IonicContact NH1-OD1 3.5Å; R401-D447 IonicContact NH2-OD1 2.95Å; R404-D447 IonicContact CZ-OD2 2.66Å; R404-D447 IonicContact NE-OD2 3.59Å; R404-D447 PolarHBondContact NE-OD2 3.46Å; R404-D447 IonicContact NH2-OD1 3.33Å; R404-D447 IonicContact NH2-OD2 2.9Å; R404-D447 PolarHBondContact NH2-OD2 3.45Å; M405-D447 HydrophobicContact CE-CB 4.14Å; M405-D447 WeakPolarHBondContact CE-O 3.24Å; M405-D447 HydrophobicContact CG-CB 3.76Å; M405-D447 HydrophobicContact SD-CB 3.68Å; F445-D447 VanDerWaalsContact C-N 3.34Å; F445-D447 PolarHBondContact O-N 3.22Å; D447-L451 PolarHBondContact O-N 2.85Å
448F97.8Very high95.4Very high4 Ų447.8 Ų47.82%0.01826%0.259CS..Hα-helixtrans-72.9-39173.5-70.3-79.5000112.1F387 M405 H420 I423 I424 F445 K446 D450 L451 W452 F456F387-F448 AromaticContact CE1-CE1 3.85Å; F387-F448 HydrophobicContact CE1-CE1 3.85Å; F387-F448 HydrophobicContact CE1-CZ 4.49Å; F387-F448 HydrophobicContact CZ-CD1 4.15Å; F387-F448 AromaticContact CZ-CE1 3.69Å; F387-F448 HydrophobicContact CZ-CE1 3.69Å; M405-F448 HydrophobicContact CB-CE1 4.2Å; M405-F448 HydrophobicContact CB-CE2 4.26Å; M405-F448 HydrophobicContact CB-CZ 3.85Å; M405-F448 HydrophobicContact CE-CB 4.25Å; M405-F448 HydrophobicContact CE-CD1 3.43Å; M405-F448 VanDerWaalsContact CE-CD1 3.43Å; M405-F448 HydrophobicContact CE-CD2 4.25Å; M405-F448 HydrophobicContact CE-CE1 3.76Å; M405-F448 HydrophobicContact CE-CG 3.71Å; M405-F448 HydrophobicContact CE-CZ 4.31Å; M405-F448 HydrophobicContact CG-CE2 4.43Å; M405-F448 HydrophobicContact CG-CZ 4.43Å; M405-F448 VanDerWaalsContact O-CZ 3.3Å; M405-F448 WeakPolarHBondContact O-CZ 2.97Å; H420-F448 HydrophobicContact CB-CZ 4.03Å; H420-F448 AromaticContact CD2-CE2 3.6Å; H420-F448 AromaticContact CD2-CZ 3.92Å; H420-F448 AromaticContact CG-CE2 3.95Å; H420-F448 AromaticContact CG-CZ 3.78Å; H420-F448 AromaticContact NE2-CE2 3.8Å; I423-F448 HydrophobicContact CB-CD1 4.4Å; I423-F448 HydrophobicContact CD1-CD2 4.21Å; I423-F448 HydrophobicContact CD1-CE2 4.45Å; I423-F448 HydrophobicContact CD1-CG 4.45Å; I423-F448 HydrophobicContact CG2-CB 3.91Å; I423-F448 HydrophobicContact CG2-CD1 3.49Å; I423-F448 VanDerWaalsContact CG2-CD1 3.49Å; I423-F448 HydrophobicContact CG2-CD2 4.49Å; I423-F448 HydrophobicContact CG2-CE1 4.07Å; I423-F448 HydrophobicContact CG2-CG 3.73Å; I424-F448 HydrophobicContact CD1-CE1 4.15Å; I424-F448 HydrophobicContact CG1-CE1 3.85Å; F445-F448 HydrophobicContact CB-CB 4.32Å; F445-F448 HydrophobicContact CB-CD2 4.18Å; F445-F448 HydrophobicContact CD1-CD2 4.23Å; F445-F448 WeakPolarHBondContact O-CB 3.3Å; F445-F448 PolarHBondContact O-N 3.01Å; K446-F448 VanDerWaalsContact C-N 3.25Å; K446-F448 PolarHBondContact O-N 3.38Å; F448-D450 VanDerWaalsContact C-N 3.35Å; F448-L451 WeakPolarHBondContact O-CB 3.39Å; F448-L451 PolarHBondContact O-N 2.89Å; F448-W452 HydrophobicContact CD1-CZ3 4.38Å; F448-W452 PolarHBondContact O-N 3.43Å; F448-F456 HydrophobicContact CB-CE2 3.93Å; F448-F456 HydrophobicContact CB-CZ 3.73Å
449A96.7Very high95.6Very high7 Ų744.2 Ų44.26%0.05824%0.24CC..Hα-helixtrans-67.3-36175.600000111.9I441 F445 K446 L451 W452 P453 F456I441-A449 HydrophobicContact CB-CB 4.38Å; I441-A449 HydrophobicContact CG2-CB 3.95Å; F445-A449 PolarHBondContact O-N 3.11Å; K446-A449 PolarHBondContact O-N 2.87Å; K446-A449 VanDerWaalsContact O-N 3.15Å; A449-L451 PolarHBondContact O-N 2.84Å; A449-W452 CarbonylContact O-C 3.28Å; A449-P453 WeakPolarHBondContact O-CA 3.39Å; A449-P453 WeakPolarHBondContact O-CD 3.33Å; A449-F456 HydrophobicContact CB-CD2 3.97Å; A449-F456 HydrophobicContact CB-CE2 4.06Å; A449-F456 HydrophobicContact CB-CG 4.44Å
450D96.8Very high95.8Very high61 Ų6141.8 Ų41.833%0.32623%0.229SC..Hα-helixtrans-62.3-31.9171.7-70.8-9.6000111.7W395 R401 K446 F448W395-D450 HydrophobicContact CH2-CB 4.14Å; W395-D450 HydrophobicContact CZ2-CB 4.02Å; R401-D450 IonicContact NH1-OD2 3.67Å; K446-D450 IonicContact NZ-OD1 2.62Å; K446-D450 PolarHBondContact NZ-OD1 2.92Å; K446-D450 IonicContact NZ-OD2 2.85Å; K446-D450 PolarHBondContact NZ-OD2 2.88Å; K446-D450 PolarHBondContact O-N 2.85Å; F448-D450 VanDerWaalsContact C-N 3.35Å
451L96.9Very high96Very high20 Ų2042.1 Ų42.111%0.10523%0.231CC..Hα-helixtrans-78.3-46.7178.2-176.561.6000111.9F387 V390 I391 R394 W395 M405 D447 F448 A449F387-L451 HydrophobicContact CE2-CD2 3.61Å; F387-L451 HydrophobicContact CZ-CD2 3.91Å; V390-L451 HydrophobicContact CG1-CD1 4.47Å; V390-L451 HydrophobicContact CG1-CD2 4.49Å; I391-L451 HydrophobicContact CD1-CD2 3.73Å; R394-L451 HydrophobicContact CB-CD1 4.23Å; R394-L451 HydrophobicContact CG-CD1 3.86Å; W395-L451 HydrophobicContact CH2-CB 3.68Å; W395-L451 HydrophobicContact CH2-CD1 3.97Å; W395-L451 HydrophobicContact CH2-CG 4.4Å; W395-L451 HydrophobicContact CZ3-CB 4.02Å; W395-L451 HydrophobicContact CZ3-CD1 3.8Å; W395-L451 HydrophobicContact CZ3-CG 4.38Å; M405-L451 HydrophobicContact CE-CB 4.46Å; M405-L451 HydrophobicContact CE-CD2 4.22Å; D447-L451 PolarHBondContact O-N 2.85Å; F448-L451 WeakPolarHBondContact O-CB 3.39Å; F448-L451 PolarHBondContact O-N 2.89Å; A449-L451 PolarHBondContact O-N 2.84Å
452W96.7Very high96.1Very high68 Ų6840 Ų4026%0.25822%0.22SC..  trans-132.472.6-174.5-62.4-51.4000111.7F387 F448 A449 S454 K455F387-W452 AromaticContact CD2-CH2 4Å; F387-W452 HydrophobicContact CD2-CH2 4Å; F387-W452 AromaticContact CE2-CH2 3.36Å; F387-W452 HydrophobicContact CE2-CH2 3.36Å; F387-W452 HydrophobicContact CE2-CZ2 4.07Å; F387-W452 AromaticContact CE2-CZ3 3.91Å; F387-W452 HydrophobicContact CE2-CZ3 3.91Å; F387-W452 HydrophobicContact CZ-CH2 4.23Å; F387-W452 HydrophobicContact CZ-CZ3 4.36Å; F448-W452 HydrophobicContact CD1-CZ3 4.38Å; F448-W452 PolarHBondContact O-N 3.43Å; A449-W452 CarbonylContact O-C 3.28Å; W452-S454 VanDerWaalsContact C-N 3.28Å; W452-S454 PolarHBondContact O-N 2.89Å; W452-K455 HydrophobicContact CB-CB 3.68Å; W452-K455 HydrophobicContact CB-CD 4.3Å; W452-K455 HydrophobicContact CD2-CD 4.43Å; W452-K455 HydrophobicContact CE3-CD 3.98Å; W452-K455 WeakPolarHBondContact O-CB 3.29Å; W452-K455 PolarHBondContact O-N 3.02Å
453P94.4Very high96.3Very high96 Ų9635.2 Ų35.262%0.62319%0.194SC*.G310 helixtrans-61.7-35.5-174.322.2-33.2000112.9A449 K455A449-P453 WeakPolarHBondContact O-CA 3.39Å; A449-P453 WeakPolarHBondContact O-CD 3.33Å; P453-K455 VanDerWaalsContact C-N 3.3Å; P453-K455 PolarHBondContact O-N 3.4Å
454S95Very high96.7Very high100 Ų10031 Ų3170%0.69917%0.169SC*.G310 helixtrans-75.3-13.6178.455.10000114.5W452W452-S454 VanDerWaalsContact C-N 3.28Å; W452-S454 PolarHBondContact O-N 2.89Å
455K96.1Very high96.9Very high24 Ų2429.5 Ų29.510%0.10416%0.161CC..G310 helixtrans-73-31.4177.8178.4176.1-73.8-166.10111.2I423 S426 V429 W452 P453I423-K455 PolarHBondContact O-NZ 3.08Å; S426-K455 WeakPolarHBondContact O-CD 3.37Å; S426-K455 WeakPolarHBondContact O-CE 3.4Å; S426-K455 PolarHBondContact O-NZ 3.3Å; V429-K455 HydrophobicContact CB-CG 4.38Å; V429-K455 HydrophobicContact CG2-CD 4.09Å; V429-K455 HydrophobicContact CG2-CG 4.03Å; V429-K455 PolarHBondContact N-O 3.01Å; W452-K455 HydrophobicContact CB-CB 3.68Å; W452-K455 HydrophobicContact CB-CD 4.3Å; W452-K455 HydrophobicContact CD2-CD 4.43Å; W452-K455 HydrophobicContact CE3-CD 3.98Å; W452-K455 WeakPolarHBondContact O-CB 3.29Å; W452-K455 PolarHBondContact O-N 3.02Å; P453-K455 VanDerWaalsContact C-N 3.3Å; P453-K455 PolarHBondContact O-N 3.4Å
456F97.1Very high97Very high15 Ų1529.3 Ų29.37%0.06616%0.16CC..EExtended strand (participates in β ladder)trans-87.1122-178.2-71.1-96.5000111.2I423 V429 I441 F445 F448 A449I423-F456 HydrophobicContact CG2-CZ 4.1Å; V429-F456 HydrophobicContact CB-CD1 4.3Å; V429-F456 HydrophobicContact CB-CE1 4.31Å; V429-F456 HydrophobicContact CG1-CD1 4.09Å; V429-F456 HydrophobicContact CG1-CE1 3.92Å; V429-F456 CarbonylContact O-C 3.51Å; V429-F456 VanDerWaalsContact O-CA 3.29Å; V429-F456 WeakPolarHBondContact O-CA 3.32Å; I441-F456 HydrophobicContact CD1-CB 3.85Å; I441-F456 HydrophobicContact CG1-CB 3.72Å; I441-F456 HydrophobicContact CG1-CD1 4.15Å; I441-F456 HydrophobicContact CG1-CG 4.08Å; F445-F456 HydrophobicContact CB-CE1 4Å; F445-F456 HydrophobicContact CB-CZ 4.02Å; F445-F456 HydrophobicContact CD2-CE1 4.4Å; F448-F456 HydrophobicContact CB-CE2 3.93Å; F448-F456 HydrophobicContact CB-CZ 3.73Å; A449-F456 HydrophobicContact CB-CD2 3.97Å; A449-F456 HydrophobicContact CB-CE2 4.06Å; A449-F456 HydrophobicContact CB-CG 4.44Å
457T96.9Very high97.1Very high32 Ų3225.3 Ų25.320%0.19614%0.143CC..EExtended strand (participates in β ladder)trans-132.7171.9178.966.30000111.9F428 V429 N430 G431 T437F428-T457 HydrophobicContact CD1-CG2 4.1Å; F428-T457 HydrophobicContact CE1-CG2 4.33Å; V429-T457 PolarHBondContact O-N 3.49Å; N430-T457 WeakPolarHBondContact CA-O 3.48Å; N430-T457 WeakPolarHBondContact CB-O 3.43Å; N430-T457 WeakPolarHBondContact CB-OG1 3.44Å; G431-T457 PolarHBondContact N-O 3.34Å; G431-T457 VanDerWaalsContact N-O 3.11Å; T437-T457 WeakPolarHBondContact CG2-O 3.34Å
458N96.9Very high97.2Very high44 Ų4424.1 Ų24.124%0.23514%0.136CC..EExtended strand (participates in β ladder)trans-112.7141.2172.5174.3-99.4000110.6S433 I434 T437 T460S433-N458 PolarHBondContact O-ND2 3.27Å; I434-N458 PolarHBondContact N-ND2 2.99Å; T437-N458 HydrophobicContact CG2-CB 4.01Å; T437-N458 WeakPolarHBondContact OG1-CB 3.49Å; T437-N458 PolarHBondContact OG1-ND2 3.46Å; N458-T460 PolarHBondContact OD1-N 3.3Å; N458-T460 PolarHBondContact OD1-OG1 2.93Å
459K97.5Very high97.3Very high8 Ų823.9 Ų23.94%0.03514%0.135CC..  trans-139.787.2164.9-65.1-70.3171.9-92.80108.7N430 G431 V432 N461 E797 Y798 D801 I802N430-K459 HydrophobicContact CB-CG 4.47Å; G431-K459 PolarHBondContact O-N 3.17Å; G431-K459 VanDerWaalsContact O-N 3.08Å; V432-K459 WeakPolarHBondContact CA-O 3.31Å; K459-N461 PolarHBondContact O-N 2.85Å; K459-E797 HydrophobicContact CD-CB 3.54Å; K459-E797 VanDerWaalsContact CE-C 3.41Å; K459-E797 VanDerWaalsContact CE-O 3.3Å; K459-E797 WeakPolarHBondContact CE-O 3.4Å; K459-Y798 HydrophobicContact CB-CD2 4.04Å; K459-Y798 HydrophobicContact CB-CE1 4.1Å; K459-Y798 HydrophobicContact CB-CE2 3.37Å; K459-Y798 VanDerWaalsContact CB-CZ 3.41Å; K459-Y798 HydrophobicContact CD-CD1 4.49Å; K459-Y798 HydrophobicContact CD-CD2 4.09Å; K459-Y798 HydrophobicContact CD-CE2 4.29Å; K459-Y798 HydrophobicContact CD-CG 4.18Å; K459-Y798 HydrophobicContact CG-CD1 4.01Å; K459-Y798 HydrophobicContact CG-CD2 3.96Å; K459-Y798 HydrophobicContact CG-CE1 3.76Å; K459-Y798 HydrophobicContact CG-CE2 3.71Å; K459-Y798 HydrophobicContact CG-CG 4.1Å; K459-D801 IonicContact NZ-OD2 2.67Å; K459-D801 PolarHBondContact NZ-OD2 3.13Å; K459-I802 HydrophobicContact CD-CD1 4.41Å; K459-I802 HydrophobicContact CG-CD1 3.9Å
460T97.5Very high97.3Very high4 Ų424.1 Ų24.13%0.02514%0.135CC..  trans-51.4130.7176.3-64.50000110.3V432 N458 M657 E676 R793 T794V432-T460 VanDerWaalsContact O-CA 3.32Å; V432-T460 WeakPolarHBondContact O-CA 3.42Å; N458-T460 PolarHBondContact OD1-N 3.3Å; N458-T460 PolarHBondContact OD1-OG1 2.93Å; T460-M657 HydrophobicContact CG2-CE 4.43Å; T460-E676 WeakPolarHBondContact CB-OE1 3.33Å; T460-E676 WeakPolarHBondContact CG2-OE1 3.35Å; T460-E676 VanDerWaalsContact CG2-OE2 3.29Å; T460-E676 WeakPolarHBondContact CG2-OE2 3.39Å; T460-E676 PolarHBondContact OG1-OE1 2.69Å; T460-E676 PolarHBondContact OG1-OE2 3.22Å; T460-R793 PolarHBondContact O-NH1 3.2Å; T460-R793 PolarHBondContact O-NH2 3Å; T460-R793 VanDerWaalsContact O-NH2 3.08Å; T460-T794 VanDerWaalsContact O-CG2 3.27Å; T460-T794 WeakPolarHBondContact O-CG2 3.13Å; T460-T794 PolarHBondContact O-OG1 2.82Å; T460-T794 VanDerWaalsContact O-OG1 3.06Å
461N97.9Very high97.3Very high9 Ų921.7 Ų21.75%0.04812%0.123CC..  trans-54.9165.5178.5-78.3-20.7000113.4L121 V432 K459 S652 T654 M657 R793L121-N461 HydrophobicContact CD1-CB 3.9Å; L121-N461 WeakPolarHBondContact CD1-OD1 3.39Å; L121-N461 VanDerWaalsContact CD2-OD1 3.25Å; L121-N461 WeakPolarHBondContact CD2-OD1 3.43Å; V432-N461 PolarHBondContact O-N 3.19Å; K459-N461 PolarHBondContact O-N 2.85Å; N461-S652 WeakPolarHBondContact ND2-CB 3.34Å; N461-S652 PolarHBondContact ND2-OG 2.88Å; N461-S652 VanDerWaalsContact ND2-OG 3.11Å; N461-T654 HydrophobicContact CB-CG2 3.88Å; N461-M657 HydrophobicContact CB-CE 4.07Å; N461-M657 WeakPolarHBondContact O-CE 3.4Å; N461-R793 PolarHBondContact O-NH2 3.26Å
462G97.9Very high97.3Very high0 Ų021.3 Ų21.30%012%0.121CC..  trans-154170.6173.700000112.4F789 T794G462-F789 CarbonylContact C-O 3.52Å; G462-F789 WeakPolarHBondContact CA-O 3.35Å; G462-T794 PolarHBondContact N-OG1 3.25Å
463I98.6Very high97.4Very high3 Ų318.1 Ų18.12%0.01511%0.11CC..BIsolated β-bridgetrans-123.5148.2-179.858.3167.4000110.9P465 W468 M657 K658 L661 F789 S790 S791I463-P465 WeakPolarHBondContact O-CD 3.5Å; I463-W468 HydrophobicContact CB-CG 4.47Å; I463-W468 HydrophobicContact CD1-CB 4.06Å; I463-W468 HydrophobicContact CD1-CG 4.47Å; I463-M657 HydrophobicContact CD1-CB 3.92Å; I463-M657 HydrophobicContact CG1-CB 4.13Å; I463-M657 HydrophobicContact CG2-CB 4.24Å; I463-M657 HydrophobicContact CG2-SD 4.48Å; I463-K658 HydrophobicContact CB-CG 4.43Å; I463-K658 VanDerWaalsContact CD1-CA 3.45Å; I463-K658 HydrophobicContact CD1-CB 4.04Å; I463-K658 HydrophobicContact CD1-CG 3.59Å; I463-K658 HydrophobicContact CG2-CG 3.95Å; I463-L661 HydrophobicContact CD1-CB 4.44Å; I463-L661 HydrophobicContact CD1-CD2 4.04Å; I463-F789 WeakPolarHBondContact CG1-O 3.36Å; I463-F789 PolarHBondContact N-O 3.47Å; I463-S790 WeakPolarHBondContact O-CA 3.35Å; I463-S791 PolarHBondContact O-N 3.35Å; I463-S791 PolarHBondContact O-OG 3.3Å
464S98.3Very high97.5Very high1 Ų115.8 Ų15.81%0.0079%0.094CC..  trans-74.7119.9176.5164.50000110.3C124 D127 R466 W468 S791C124-S464 PolarHBondContact SG-N 2.93Å; D127-S464 VanDerWaalsContact OD2-CB 3.27Å; D127-S464 WeakPolarHBondContact OD2-CB 3.38Å; D127-S464 PolarHBondContact OD2-OG 3.09Å; S464-R466 PolarHBondContact O-N 3.47Å; S464-R466 PolarHBondContact OG-N 3.21Å; S464-R466 PolarHBondContact OG-NE 3.02Å; S464-R466 PolarHBondContact OG-NH2 2.82Å; S464-W468 WeakPolarHBondContact O-CB 3.25Å; S464-W468 PolarHBondContact O-N 2.87Å; S464-S791 VanDerWaalsContact CA-OG 3.3Å; S464-S791 WeakPolarHBondContact CA-OG 3.42Å; S464-S791 PolarHBondContact N-OG 2.87Å; S464-S791 VanDerWaalsContact N-OG 3.13Å
465P97.9Very high97.6Very high0 Ų012.5 Ų12.50%08%0.076CC..Hα-helixtrans-65.9-22174.826.3-34.9000112.7I463 L469 L470 V490 L493I463-P465 WeakPolarHBondContact O-CD 3.5Å; P465-L469 WeakPolarHBondContact O-CA 3.23Å; P465-L469 WeakPolarHBondContact O-CB 3.16Å; P465-L469 PolarHBondContact O-N 3.04Å; P465-L470 WeakPolarHBondContact O-CD1 3.33Å; P465-L470 PolarHBondContact O-N 3.16Å; P465-L470 VanDerWaalsContact O-N 3.08Å; P465-V490 WeakPolarHBondContact CG-O 3.4Å; P465-L493 HydrophobicContact CB-CD1 3.76Å; P465-L493 HydrophobicContact CB-CD2 4.2Å; P465-L493 HydrophobicContact CG-CD1 4.23Å; P465-L493 HydrophobicContact CG-CD2 4.49Å
466R98.2Very high97.7Very high0 Ų011.5 Ų11.50%07%0.072CC..Iπ-helixtrans-59.6-54.4177.4-7471.162.6-178.65.6110.1L82 D127 S128 Y216 S464 L470 V471 V490 D792L82-R466 HydrophobicContact CD2-CB 4.16Å; D127-R466 IonicContact OD2-CZ 2.95Å; D127-R466 IonicContact OD2-NE 3.86Å; D127-R466 PolarHBondContact OD2-NE 3.31Å; D127-R466 IonicContact OD2-NH2 3.29Å; D127-R466 PolarHBondContact OD2-NH2 3.43Å; S128-R466 PolarHBondContact OG-NH2 3.32Å; S128-R466 VanDerWaalsContact OG-NH2 3.16Å; Y216-R466 HydrophobicContact CD2-CG 3.6Å; Y216-R466 HydrophobicContact CE2-CG 4.4Å; Y216-R466 HydrophobicContact CG-CG 3.73Å; S464-R466 PolarHBondContact O-N 3.47Å; S464-R466 PolarHBondContact OG-N 3.21Å; S464-R466 PolarHBondContact OG-NE 3.02Å; S464-R466 PolarHBondContact OG-NH2 2.82Å; R466-L470 WeakPolarHBondContact O-CB 3.41Å; R466-L470 PolarHBondContact O-N 2.9Å; R466-V471 WeakPolarHBondContact O-CG2 3.27Å; R466-V471 PolarHBondContact O-N 2.98Å; R466-V490 HydrophobicContact CG-CG1 4.47Å; R466-D792 IonicContact CZ-OD1 3.69Å; R466-D792 VanDerWaalsContact CZ-OD1 3.29Å; R466-D792 IonicContact CZ-OD2 2.8Å; R466-D792 IonicContact NH1-OD1 2.6Å; R466-D792 PolarHBondContact NH1-OD1 3.37Å; R466-D792 IonicContact NH1-OD2 2.79Å; R466-D792 PolarHBondContact NH1-OD2 3.17Å; R466-D792 IonicContact NH2-OD1 3.57Å; R466-D792 PolarHBondContact NH2-OD1 2.97Å
467R98.1Very high97.7Very high9 Ų910.9 Ų10.93%0.0347%0.069CC..Iπ-helixtrans-76-46.2178.6-172.7169-67.9-94.99.4112.6R75 L469 C472 E632R75-R467 VanDerWaalsContact O-CZ 3.31Å; R75-R467 PolarHBondContact O-NH1 3.46Å; R75-R467 PolarHBondContact O-NH2 3.04Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 2.89Å; R467-C472 PolarHBondContact O-N 3.5Å; R467-C472 PolarHBondContact O-SG 3.09Å; R467-E632 VanDerWaalsContact CD-OE1 3.22Å; R467-E632 WeakPolarHBondContact CD-OE1 3.37Å; R467-E632 VanDerWaalsContact CG-OE1 3.22Å; R467-E632 WeakPolarHBondContact CG-OE1 3.42Å; R467-E632 IonicContact CZ-OE1 3.21Å; R467-E632 IonicContact NE-OE1 3.57Å; R467-E632 IonicContact NH1-OE1 3.38Å; R467-E632 PolarHBondContact NH1-OE1 3.46Å
468W98.5Very high97.7Very high1 Ų113.4 Ų13.40%0.0048%0.082CC..Iπ-helixtrans-90.711.5-168.6-60.8112.7000114.7R120 I463 S464 C472 V628 A631 E632 I635 K658 N662R120-W468 HydrophobicContact CG-CZ2 3.99Å; I463-W468 HydrophobicContact CB-CG 4.47Å; I463-W468 HydrophobicContact CD1-CB 4.06Å; I463-W468 HydrophobicContact CD1-CG 4.47Å; S464-W468 WeakPolarHBondContact O-CB 3.25Å; S464-W468 PolarHBondContact O-N 2.87Å; W468-C472 PolarHBondContact O-SG 2.84Å; W468-V628 HydrophobicContact CH2-CG1 4.06Å; W468-V628 HydrophobicContact CZ2-CG1 4.35Å; W468-A631 HydrophobicContact CH2-CB 3.81Å; W468-A631 HydrophobicContact CZ3-CB 3.87Å; W468-E632 HydrophobicContact CH2-CG 4.49Å; W468-E632 HydrophobicContact CZ3-CG 4.01Å; W468-I635 HydrophobicContact CE3-CD1 3.94Å; W468-I635 HydrophobicContact CH2-CD1 4.45Å; W468-I635 HydrophobicContact CZ3-CD1 3.63Å; W468-K658 HydrophobicContact CB-CG 4.27Å; W468-K658 HydrophobicContact CD2-CD 3.61Å; W468-K658 HydrophobicContact CD2-CG 3.84Å; W468-K658 VanDerWaalsContact CE2-CE 3.43Å; W468-K658 HydrophobicContact CE3-CD 3.76Å; W468-K658 HydrophobicContact CE3-CG 4.17Å; W468-K658 HydrophobicContact CG-CD 4.17Å; W468-K658 HydrophobicContact CG-CG 3.89Å; W468-K658 HydrophobicContact CH2-CD 4.13Å; W468-K658 HydrophobicContact CZ2-CD 3.98Å; W468-K658 HydrophobicContact CZ3-CD 4.02Å; W468-N662 PolarHBondContact O-ND2 3.18Å
469L98.4Very high97.8Very high0 Ų011.5 Ų11.50%07%0.071CC..Iπ-helixtrans-144.9-56.8168.2177.156.6000111.2P465 R467 N473 L476 T477 I480 W489 L661P465-L469 WeakPolarHBondContact O-CA 3.23Å; P465-L469 WeakPolarHBondContact O-CB 3.16Å; P465-L469 PolarHBondContact O-N 3.04Å; R467-L469 VanDerWaalsContact C-N 3.32Å; R467-L469 PolarHBondContact O-N 2.89Å; L469-N473 HydrophobicContact CD1-CB 4.36Å; L469-N473 CarbonylContact O-C 3.44Å; L469-N473 VanDerWaalsContact O-C 3.28Å; L469-N473 VanDerWaalsContact O-CA 3.31Å; L469-N473 WeakPolarHBondContact O-CA 3.03Å; L469-N473 WeakPolarHBondContact O-CB 3.46Å; L469-N473 PolarHBondContact O-N 3.22Å; L469-L476 HydrophobicContact CD1-CB 4.19Å; L469-L476 HydrophobicContact CD1-CD2 3.63Å; L469-L476 HydrophobicContact CD1-CG 3.87Å; L469-T477 PolarHBondContact O-OG1 2.91Å; L469-I480 HydrophobicContact CD2-CD1 4.05Å; L469-W489 HydrophobicContact CD2-CH2 3.91Å; L469-W489 HydrophobicContact CD2-CZ3 3.54Å; L469-W489 HydrophobicContact CG-CH2 4.43Å; L469-W489 HydrophobicContact CG-CZ3 4.43Å; L469-L661 HydrophobicContact CB-CD2 3.91Å; L469-L661 HydrophobicContact CB-CG 4.23Å; L469-L661 HydrophobicContact CD2-CD1 3.95Å; L469-L661 HydrophobicContact CD2-CD2 4.39Å; L469-L661 HydrophobicContact CD2-CG 4.16Å
470L97.6Very high97.8Very high11 Ų1111.2 Ų11.26%0.0587%0.07CC..Iπ-helixtrans-66.7-50.3-174.4-77.564.2000112.2L82 Y216 P465 R466 T477 W489 V490L82-L470 HydrophobicContact CD1-CB 4.47Å; L82-L470 HydrophobicContact CD1-CD2 4.26Å; L82-L470 HydrophobicContact CD2-CB 3.63Å; L82-L470 HydrophobicContact CD2-CD2 4.05Å; Y216-L470 HydrophobicContact CE2-CD2 3.76Å; P465-L470 WeakPolarHBondContact O-CD1 3.33Å; P465-L470 PolarHBondContact O-N 3.16Å; P465-L470 VanDerWaalsContact O-N 3.08Å; R466-L470 WeakPolarHBondContact O-CB 3.41Å; R466-L470 PolarHBondContact O-N 2.9Å; L470-T477 WeakPolarHBondContact CA-OG1 3.46Å; L470-T477 HydrophobicContact CD1-CG2 4.43Å; L470-T477 HydrophobicContact CG-CG2 3.89Å; L470-W489 HydrophobicContact CD1-CH2 3.62Å; L470-W489 HydrophobicContact CD1-CZ3 3.84Å; L470-W489 HydrophobicContact CG-CH2 4.45Å; L470-V490 HydrophobicContact CD1-CG1 4.03Å; L470-V490 HydrophobicContact CD1-CG2 4.13Å; L470-V490 HydrophobicContact CD2-CB 4.45Å; L470-V490 HydrophobicContact CD2-CG1 3.62Å; L470-V490 HydrophobicContact CD2-CG2 3.94Å
471V96.7Very high97.7Very high10 Ų1013.8 Ų13.86%0.0618%0.079CC..Iπ-helixtrans-68.7-50.7179.5168.10000111.5K78 L82 R466K78-V471 HydrophobicContact CB-CG1 4.35Å; K78-V471 HydrophobicContact CD-CG1 3.67Å; K78-V471 HydrophobicContact CG-CG1 3.81Å; K78-V471 HydrophobicContact CG-CG2 4.48Å; L82-V471 HydrophobicContact CB-CG2 4.45Å; L82-V471 HydrophobicContact CD2-CG2 3.64Å; R466-V471 WeakPolarHBondContact O-CG2 3.27Å; R466-V471 PolarHBondContact O-N 2.98Å
472C97.6Very high97.5Very high12 Ų1216.2 Ų16.28%0.08110%0.097CC..THydrogen-bonded Turntrans-83.1-23.1-170.469.20000114R467 W468 E632 P636R467-C472 PolarHBondContact O-N 3.5Å; R467-C472 PolarHBondContact O-SG 3.09Å; W468-C472 PolarHBondContact O-SG 2.84Å; C472-E632 HydrophobicContact CB-CB 3.94Å; C472-E632 HydrophobicContact CB-CG 4.17Å; C472-E632 WeakPolarHBondContact CB-O 3.26Å; C472-P636 HydrophobicContact CB-CG 4.02Å; C472-P636 VanDerWaalsContact O-CG 3.28Å; C472-P636 WeakPolarHBondContact O-CG 3.26Å
473N98.3Very high97.4Very high2 Ų217.5 Ų17.51%0.01111%0.105CC..  trans-138.365.6-173.5-162.6-6.6000112L469 G475 L476 T477 N519 P636 N662L469-N473 HydrophobicContact CD1-CB 4.36Å; L469-N473 CarbonylContact O-C 3.44Å; L469-N473 VanDerWaalsContact O-C 3.28Å; L469-N473 VanDerWaalsContact O-CA 3.31Å; L469-N473 WeakPolarHBondContact O-CA 3.03Å; L469-N473 WeakPolarHBondContact O-CB 3.46Å; L469-N473 PolarHBondContact O-N 3.22Å; N473-G475 VanDerWaalsContact C-N 3.31Å; N473-G475 PolarHBondContact O-N 3.16Å; N473-L476 HydrophobicContact CB-CB 4.26Å; N473-L476 WeakPolarHBondContact ND2-CB 3.37Å; N473-L476 PolarHBondContact O-N 3.44Å; N473-L476 WeakPolarHBondContact OD1-CB 3.49Å; N473-L476 PolarHBondContact OD1-N 3.33Å; N473-T477 PolarHBondContact O-N 3.28Å; N473-T477 PolarHBondContact O-OG1 3.47Å; N473-T477 VanDerWaalsContact O-OG1 3.07Å; N473-N519 PolarHBondContact ND2-ND2 3.19Å; N473-N519 PolarHBondContact OD1-ND2 2.72Å; N473-P636 HydrophobicContact CB-CB 4.13Å; N473-P636 HydrophobicContact CB-CG 4.12Å; N473-N662 VanDerWaalsContact CB-OD1 3.26Å; N473-N662 WeakPolarHBondContact CB-OD1 3.28Å; N473-N662 PolarHBondContact ND2-OD1 2.79Å
474P95.9Very high97.2Very high47 Ų4718.1 Ų18.131%0.30511%0.108SC..Hα-helixtrans-58.8-39.7-178.822.1-33.3000112.4L476 T477 D478P474-L476 VanDerWaalsContact C-N 3.34Å; P474-L476 PolarHBondContact O-N 2.94Å; P474-T477 CarbonylContact O-C 3.58Å; P474-T477 WeakPolarHBondContact O-CA 3.34Å; P474-T477 VanDerWaalsContact O-CB 3.29Å; P474-T477 WeakPolarHBondContact O-CB 3.48Å; P474-T477 PolarHBondContact O-N 2.87Å; P474-D478 PolarHBondContact O-N 3.21Å
475G97.6Very high96.9Very high30 Ų3026.5 Ų26.531%0.30915%0.147SC..Hα-helixtrans-60.4-38.9177.700000113.8N473 L479N473-G475 VanDerWaalsContact C-N 3.31Å; N473-G475 PolarHBondContact O-N 3.16Å; G475-L479 PolarHBondContact O-N 3.41Å; G475-L479 VanDerWaalsContact O-N 3.16Å
476L98.3Very high96.6Very high4 Ų428.1 Ų28.12%0.02116%0.158CC..Hα-helixtrans-71-38.7173.9-179.656.4000111.2L469 N473 P474 D478 L479 I480 L512 V515 I783L469-L476 HydrophobicContact CD1-CB 4.19Å; L469-L476 HydrophobicContact CD1-CD2 3.63Å; L469-L476 HydrophobicContact CD1-CG 3.87Å; N473-L476 HydrophobicContact CB-CB 4.26Å; N473-L476 WeakPolarHBondContact ND2-CB 3.37Å; N473-L476 PolarHBondContact O-N 3.44Å; N473-L476 WeakPolarHBondContact OD1-CB 3.49Å; N473-L476 PolarHBondContact OD1-N 3.33Å; P474-L476 VanDerWaalsContact C-N 3.34Å; P474-L476 PolarHBondContact O-N 2.94Å; L476-D478 VanDerWaalsContact C-N 3.33Å; L476-D478 PolarHBondContact O-N 3.45Å; L476-L479 HydrophobicContact CD1-CD2 4.5Å; L476-L479 PolarHBondContact O-N 2.96Å; L476-I480 HydrophobicContact CD1-CD1 4.15Å; L476-I480 HydrophobicContact CD1-CG1 4.24Å; L476-I480 HydrophobicContact CG-CD1 3.94Å; L476-I480 HydrophobicContact CG-CG1 4.46Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.27Å; L476-I480 PolarHBondContact O-N 3.44Å; L476-L512 HydrophobicContact CD1-CD1 3.55Å; L476-V515 HydrophobicContact CB-CG1 3.93Å; L476-I783 HydrophobicContact CD1-CD1 4.19Å; L476-I783 HydrophobicContact CD2-CD1 4.09Å
477T97.5Very high96.1Very high1 Ų130.2 Ų30.21%0.00617%0.169CC..Hα-helixtrans-57.7-47175.9-62.60000110.8L469 L470 N473 P474 L479 I480 R481 W489L469-T477 PolarHBondContact O-OG1 2.91Å; L470-T477 WeakPolarHBondContact CA-OG1 3.46Å; L470-T477 HydrophobicContact CD1-CG2 4.43Å; L470-T477 HydrophobicContact CG-CG2 3.89Å; N473-T477 PolarHBondContact O-N 3.28Å; N473-T477 PolarHBondContact O-OG1 3.47Å; N473-T477 VanDerWaalsContact O-OG1 3.07Å; P474-T477 CarbonylContact O-C 3.58Å; P474-T477 WeakPolarHBondContact O-CA 3.34Å; P474-T477 VanDerWaalsContact O-CB 3.29Å; P474-T477 WeakPolarHBondContact O-CB 3.48Å; P474-T477 PolarHBondContact O-N 2.87Å; T477-L479 PolarHBondContact O-N 3.26Å; T477-I480 PolarHBondContact O-N 3.16Å; T477-R481 HydrophobicContact CG2-CG 4.38Å; T477-R481 WeakPolarHBondContact O-CB 3.5Å; T477-R481 VanDerWaalsContact O-CG 3.29Å; T477-R481 WeakPolarHBondContact O-CG 3.26Å; T477-R481 PolarHBondContact O-N 3.43Å; T477-W489 HydrophobicContact CG2-CH2 4.08Å; T477-W489 HydrophobicContact CG2-CZ2 4.13Å
478D96.8Very high95.8Very high86 Ų8634.9 Ų34.946%0.4620%0.195SC..Hα-helixtrans-66.9-36.7179.5-64.2-22.9000112.4P474 L476 R481 S482P474-D478 PolarHBondContact O-N 3.21Å; L476-D478 VanDerWaalsContact C-N 3.33Å; L476-D478 PolarHBondContact O-N 3.45Å; D478-R481 PolarHBondContact O-N 3.22Å; D478-R481 IonicContact OD1-NH1 3.77Å; D478-S482 WeakPolarHBondContact O-CB 3.37Å; D478-S482 PolarHBondContact O-N 3.48Å; D478-S482 PolarHBondContact O-OG 3.38Å
479L97.7Very high95.7Very high4 Ų434.9 Ų34.92%0.02120%0.195CC..Hα-helixtrans-62.1-43.7172.5-178.260.7000111.4G475 L476 T477 S482 T483 F508 R511 L512 V515G475-L479 PolarHBondContact O-N 3.41Å; G475-L479 VanDerWaalsContact O-N 3.16Å; L476-L479 HydrophobicContact CD1-CD2 4.5Å; L476-L479 PolarHBondContact O-N 2.96Å; T477-L479 PolarHBondContact O-N 3.26Å; L479-S482 PolarHBondContact O-OG 3.05Å; L479-T483 WeakPolarHBondContact O-CB 3.32Å; L479-T483 PolarHBondContact O-N 3.41Å; L479-T483 PolarHBondContact O-OG1 3.42Å; L479-F508 HydrophobicContact CD1-CD2 4.08Å; L479-F508 HydrophobicContact CD1-CE2 3.75Å; L479-F508 HydrophobicContact CD2-CE2 4.16Å; L479-F508 HydrophobicContact CD2-CZ 4.13Å; L479-F508 HydrophobicContact CG-CE2 3.74Å; L479-F508 HydrophobicContact CG-CZ 4.09Å; L479-R511 HydrophobicContact CD1-CB 4.01Å; L479-R511 VanDerWaalsContact CD1-CZ 3.44Å; L479-R511 HydrophobicContact CD2-CB 4.4Å; L479-L512 HydrophobicContact CD2-CB 3.9Å; L479-L512 HydrophobicContact CD2-CD1 4.1Å; L479-V515 HydrophobicContact CD2-CG2 4.47Å
480I97.6Very high95.5Very high1 Ų134.9 Ų34.91%0.00520%0.195CC..Hα-helixtrans-66.4-47177.1-66.3168.8000110.3L469 L476 T477 S482 T483 M484 W489 L496 L499 I783L469-I480 HydrophobicContact CD2-CD1 4.05Å; L476-I480 HydrophobicContact CD1-CD1 4.15Å; L476-I480 HydrophobicContact CD1-CG1 4.24Å; L476-I480 HydrophobicContact CG-CD1 3.94Å; L476-I480 HydrophobicContact CG-CG1 4.46Å; L476-I480 VanDerWaalsContact O-CG1 3.3Å; L476-I480 WeakPolarHBondContact O-CG1 3.27Å; L476-I480 PolarHBondContact O-N 3.44Å; T477-I480 PolarHBondContact O-N 3.16Å; I480-S482 PolarHBondContact O-N 2.6Å; I480-T483 PolarHBondContact O-N 2.93Å; I480-T483 VanDerWaalsContact O-N 3.1Å; I480-M484 HydrophobicContact CG2-CG 4Å; I480-M484 WeakPolarHBondContact O-CB 3.12Å; I480-M484 WeakPolarHBondContact O-CG 3.35Å; I480-M484 PolarHBondContact O-N 2.94Å; I480-W489 HydrophobicContact CB-CZ2 4.21Å; I480-W489 HydrophobicContact CG2-CD2 3.94Å; I480-W489 HydrophobicContact CG2-CE3 4.46Å; I480-W489 HydrophobicContact CG2-CG 4.39Å; I480-W489 HydrophobicContact CG2-CH2 4.32Å; I480-W489 HydrophobicContact CG2-CZ2 3.79Å; I480-L496 HydrophobicContact CD1-CD2 4.19Å; I480-L496 HydrophobicContact CG2-CD2 3.83Å; I480-L499 HydrophobicContact CD1-CD1 4.46Å; I480-L499 HydrophobicContact CG1-CD1 4.11Å; I480-I783 HydrophobicContact CD1-CG2 4.38Å
481R95.8Very high95.3Very high59 Ų5937.9 Ų37.922%0.22321%0.208CC..Hα-helixtrans-56.5-51.1177.8-76.9178.3163.3155-8112.3T477 D478 T483 M484 Q485 D487 W489T477-R481 HydrophobicContact CG2-CG 4.38Å; T477-R481 WeakPolarHBondContact O-CB 3.5Å; T477-R481 VanDerWaalsContact O-CG 3.29Å; T477-R481 WeakPolarHBondContact O-CG 3.26Å; T477-R481 PolarHBondContact O-N 3.43Å; D478-R481 PolarHBondContact O-N 3.22Å; D478-R481 IonicContact OD1-NH1 3.77Å; R481-T483 PolarHBondContact O-N 3.47Å; R481-M484 PolarHBondContact O-N 3.37Å; R481-Q485 WeakPolarHBondContact O-CA 3.29Å; R481-Q485 PolarHBondContact O-N 2.74Å; R481-D487 WeakPolarHBondContact CD-OD1 3.32Å; R481-D487 VanDerWaalsContact CG-OD1 3.27Å; R481-D487 WeakPolarHBondContact CG-OD1 3.33Å; R481-D487 IonicContact CZ-OD1 3.32Å; R481-D487 IonicContact CZ-OD2 3.55Å; R481-D487 IonicContact NE-OD1 3.9Å; R481-D487 PolarHBondContact NE-OD1 2.95Å; R481-D487 IonicContact NE-OD2 3.64Å; R481-D487 PolarHBondContact NE-OD2 3.46Å; R481-D487 IonicContact NH2-OD1 2.79Å; R481-D487 IonicContact NH2-OD2 3.74Å; R481-D487 PolarHBondContact NH2-OD2 2.72Å; R481-W489 HydrophobicContact CG-CZ2 4.06Å
482S95.2Very high95.3Very high59 Ų5940.8 Ų40.841%0.41322%0.223SC..Hα-helixtrans-62-26.5178.658.80000112.8D478 L479 I480D478-S482 WeakPolarHBondContact O-CB 3.37Å; D478-S482 PolarHBondContact O-N 3.48Å; D478-S482 PolarHBondContact O-OG 3.38Å; L479-S482 PolarHBondContact O-OG 3.05Å; I480-S482 PolarHBondContact O-N 2.6Å
483T95.3Very high95.3Very high27 Ų2740.3 Ų40.317%0.16622%0.22CC..Hα-helixtrans-86.3-41.6-180-56.90000112.7L479 I480 R481 L499 K502 F508L479-T483 WeakPolarHBondContact O-CB 3.32Å; L479-T483 PolarHBondContact O-N 3.41Å; L479-T483 PolarHBondContact O-OG1 3.42Å; I480-T483 PolarHBondContact O-N 2.93Å; I480-T483 VanDerWaalsContact O-N 3.1Å; R481-T483 PolarHBondContact O-N 3.47Å; T483-L499 HydrophobicContact CG2-CD2 3.95Å; T483-K502 HydrophobicContact CG2-CG 4Å; T483-F508 HydrophobicContact CG2-CD2 4.35Å; T483-F508 HydrophobicContact CG2-CE2 3.97Å; T483-F508 WeakPolarHBondContact OG1-CE2 3.37Å
484M93.7Very high95.2Very high17 Ų1744.4 Ų44.48%0.08424%0.24CC..Hα-helixtrans-83.5-20.6-178.8-64.2-77.276.300113.1I480 R481 S486 R498 L499I480-M484 HydrophobicContact CG2-CG 4Å; I480-M484 WeakPolarHBondContact O-CB 3.12Å; I480-M484 WeakPolarHBondContact O-CG 3.35Å; I480-M484 PolarHBondContact O-N 2.94Å; R481-M484 PolarHBondContact O-N 3.37Å; M484-S486 PolarHBondContact O-N 3.05Å; M484-R498 HydrophobicContact CE-CB 3.74Å; M484-R498 HydrophobicContact SD-CB 3.89Å; M484-L499 HydrophobicContact CE-CD2 4.28Å; M484-L499 HydrophobicContact CG-CD2 4.4Å; M484-L499 HydrophobicContact SD-CD2 4.35Å
485Q92.9Very high95.2Very high176 Ų17644.2 Ų44.282%0.82224%0.236SC*.SBendtrans5431.8-176.1-56.2178.313.200112.7R481R481-Q485 WeakPolarHBondContact O-CA 3.29Å; R481-Q485 PolarHBondContact O-N 2.74Å
486S90.3Very high95.2Very high34 Ų3442.8 Ų42.824%0.23822%0.221CC..  trans-161.1155.7178.7168.60000110.1M484 D488 W489M484-S486 PolarHBondContact O-N 3.05Å; S486-D488 WeakPolarHBondContact OG-CB 3.35Å; S486-D488 PolarHBondContact OG-N 3.46Å; S486-D488 PolarHBondContact OG-OD2 3.31Å; S486-W489 PolarHBondContact O-NE1 2.94Å
487D88.3Confident95.2Very high44 Ų4445.2 Ų45.224%0.23523%0.234CC..SBendtrans-100.21.1171.9-9413.5000113.2R217 R481 W489 V490R217-D487 IonicContact CZ-OD2 3.74Å; R217-D487 IonicContact NH1-OD2 3.67Å; R217-D487 PolarHBondContact NH1-OD2 3.48Å; R481-D487 WeakPolarHBondContact CD-OD1 3.32Å; R481-D487 VanDerWaalsContact CG-OD1 3.27Å; R481-D487 WeakPolarHBondContact CG-OD1 3.33Å; R481-D487 IonicContact CZ-OD1 3.32Å; R481-D487 IonicContact CZ-OD2 3.55Å; R481-D487 IonicContact NE-OD1 3.9Å; R481-D487 PolarHBondContact NE-OD1 2.95Å; R481-D487 IonicContact NE-OD2 3.64Å; R481-D487 PolarHBondContact NE-OD2 3.46Å; R481-D487 IonicContact NH2-OD1 2.79Å; R481-D487 IonicContact NH2-OD2 3.74Å; R481-D487 PolarHBondContact NH2-OD2 2.72Å; D487-W489 PolarHBondContact O-N 3.09Å; D487-W489 VanDerWaalsContact O-N 3.15Å; D487-V490 WeakPolarHBondContact O-CB 3.49Å; D487-V490 VanDerWaalsContact O-CG2 3.3Å; D487-V490 WeakPolarHBondContact O-CG2 3.27Å; D487-V490 PolarHBondContact O-N 3.11Å
488D92.8Very high95.1Very high108 Ų10850.8 Ų50.858%0.57826%0.255SS*.G310 helixtrans-60.6-29.5-176.4-64.9-37000112.7S486 V490 K491 N492 M495S486-D488 WeakPolarHBondContact OG-CB 3.35Å; S486-D488 PolarHBondContact OG-N 3.46Å; S486-D488 PolarHBondContact OG-OD2 3.31Å; D488-V490 PolarHBondContact O-N 3.09Å; D488-V490 VanDerWaalsContact O-N 3.13Å; D488-K491 PolarHBondContact O-N 3.37Å; D488-K491 VanDerWaalsContact O-N 3.15Å; D488-N492 PolarHBondContact O-N 2.95Å; D488-N492 VanDerWaalsContact O-N 3.08Å; D488-M495 HydrophobicContact CB-CE 3.99Å; D488-M495 HydrophobicContact CB-SD 3.91Å
489W95.5Very high95.1Very high0 Ų046.8 Ų46.80%023%0.234CC..G310 helixtrans-61.2-21.8178.264-94.4000112.7L469 L470 T477 I480 R481 S486 D487 K491 N492 L493 M495 L496L469-W489 HydrophobicContact CD2-CH2 3.91Å; L469-W489 HydrophobicContact CD2-CZ3 3.54Å; L469-W489 HydrophobicContact CG-CH2 4.43Å; L469-W489 HydrophobicContact CG-CZ3 4.43Å; L470-W489 HydrophobicContact CD1-CH2 3.62Å; L470-W489 HydrophobicContact CD1-CZ3 3.84Å; L470-W489 HydrophobicContact CG-CH2 4.45Å; T477-W489 HydrophobicContact CG2-CH2 4.08Å; T477-W489 HydrophobicContact CG2-CZ2 4.13Å; I480-W489 HydrophobicContact CB-CZ2 4.21Å; I480-W489 HydrophobicContact CG2-CD2 3.94Å; I480-W489 HydrophobicContact CG2-CE3 4.46Å; I480-W489 HydrophobicContact CG2-CG 4.39Å; I480-W489 HydrophobicContact CG2-CH2 4.32Å; I480-W489 HydrophobicContact CG2-CZ2 3.79Å; R481-W489 HydrophobicContact CG-CZ2 4.06Å; S486-W489 PolarHBondContact O-NE1 2.94Å; D487-W489 PolarHBondContact O-N 3.09Å; D487-W489 VanDerWaalsContact O-N 3.15Å; W489-K491 VanDerWaalsContact C-N 3.32Å; W489-K491 PolarHBondContact O-N 2.86Å; W489-N492 CarbonylContact O-C 3.44Å; W489-N492 PolarHBondContact O-N 3.33Å; W489-L493 HydrophobicContact CE3-CD1 4.07Å; W489-L493 HydrophobicContact CZ3-CD1 4.35Å; W489-L493 VanDerWaalsContact O-CA 3.26Å; W489-L493 WeakPolarHBondContact O-CA 3.31Å; W489-L493 PolarHBondContact O-N 3.41Å; W489-L493 VanDerWaalsContact O-N 3.12Å; W489-M495 HydrophobicContact CB-CB 3.87Å; W489-M495 HydrophobicContact CB-SD 4.39Å; W489-L496 HydrophobicContact CD2-CD2 4.28Å; W489-L496 HydrophobicContact CE3-CD2 4.01Å
490V95.2Very high95.1Very high0 Ų050 Ų500%025%0.248CC..G310 helixtrans-67.3-35.3178.6-175.90000111.4Y216 P465 R466 L470 D487 D488Y216-V490 HydrophobicContact CD1-CB 4.39Å; Y216-V490 HydrophobicContact CD1-CG1 3.73Å; Y216-V490 HydrophobicContact CE1-CB 3.75Å; Y216-V490 HydrophobicContact CE1-CG1 3.37Å; Y216-V490 HydrophobicContact CE1-CG2 4.35Å; Y216-V490 HydrophobicContact CE2-CG1 4.27Å; Y216-V490 HydrophobicContact CG-CG1 4.32Å; P465-V490 WeakPolarHBondContact CG-O 3.4Å; R466-V490 HydrophobicContact CG-CG1 4.47Å; L470-V490 HydrophobicContact CD1-CG1 4.03Å; L470-V490 HydrophobicContact CD1-CG2 4.13Å; L470-V490 HydrophobicContact CD2-CB 4.45Å; L470-V490 HydrophobicContact CD2-CG1 3.62Å; L470-V490 HydrophobicContact CD2-CG2 3.94Å; D487-V490 WeakPolarHBondContact O-CB 3.49Å; D487-V490 VanDerWaalsContact O-CG2 3.3Å; D487-V490 WeakPolarHBondContact O-CG2 3.27Å; D487-V490 PolarHBondContact O-N 3.11Å; D488-V490 PolarHBondContact O-N 3.09Å; D488-V490 VanDerWaalsContact O-N 3.13Å
491K93.5Very high95Very high75 Ų7557 Ų5733%0.32628%0.28SS..THydrogen-bonded Turntrans-93.8-13.3176.2-64.6-177.5-179.7179.40112.7T131 Y216 R217 D488 W489 R796T131-K491 HydrophobicContact CG2-CG 4.26Å; Y216-K491 HydrophobicContact CD1-CG 4.13Å; Y216-K491 WeakPolarHBondContact O-CE 3.4Å; Y216-K491 PolarHBondContact O-NZ 3.48Å; R217-K491 PolarHBondContact O-NZ 2.93Å; R217-K491 VanDerWaalsContact O-NZ 3.09Å; D488-K491 PolarHBondContact O-N 3.37Å; D488-K491 VanDerWaalsContact O-N 3.15Å; W489-K491 VanDerWaalsContact C-N 3.32Å; W489-K491 PolarHBondContact O-N 2.86Å; K491-R796 PolarHBondContact O-NH2 2.8Å
492N95.4Very high95.1Very high70 Ų7057.8 Ų57.837%0.37429%0.285SS..  trans-137.278.3175.7-174.811.6000111.8D488 W489 I494 M495D488-N492 PolarHBondContact O-N 2.95Å; D488-N492 VanDerWaalsContact O-N 3.08Å; W489-N492 CarbonylContact O-C 3.44Å; W489-N492 PolarHBondContact O-N 3.33Å; N492-I494 PolarHBondContact O-N 3.32Å; N492-M495 HydrophobicContact CB-CG 4.32Å; N492-M495 HydrophobicContact CB-SD 4.09Å; N492-M495 WeakPolarHBondContact O-CB 3.26Å; N492-M495 WeakPolarHBondContact O-CG 3.49Å; N492-M495 PolarHBondContact O-N 3.33Å
493L97.2Very high95.1Very high3 Ų356.9 Ų56.92%0.01628%0.276CS..G310 helixtrans-62.5-17.9-173-155.567.7000114P465 W489 M495 L496 L661 G787P465-L493 HydrophobicContact CB-CD1 3.76Å; P465-L493 HydrophobicContact CB-CD2 4.2Å; P465-L493 HydrophobicContact CG-CD1 4.23Å; P465-L493 HydrophobicContact CG-CD2 4.49Å; W489-L493 HydrophobicContact CE3-CD1 4.07Å; W489-L493 HydrophobicContact CZ3-CD1 4.35Å; W489-L493 VanDerWaalsContact O-CA 3.26Å; W489-L493 WeakPolarHBondContact O-CA 3.31Å; W489-L493 PolarHBondContact O-N 3.41Å; W489-L493 VanDerWaalsContact O-N 3.12Å; L493-M495 PolarHBondContact O-N 3.31Å; L493-M495 VanDerWaalsContact O-N 3.15Å; L493-L496 HydrophobicContact CD1-CD1 3.6Å; L493-L496 HydrophobicContact CD1-CG 4.03Å; L493-L496 HydrophobicContact CG-CD1 3.81Å; L493-L496 HydrophobicContact CG-CG 4.26Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 WeakPolarHBondContact O-CG 3.39Å; L493-L496 PolarHBondContact O-N 3.04Å; L493-L496 VanDerWaalsContact O-N 3.08Å; L493-L661 HydrophobicContact CD1-CD1 4.42Å; L493-L661 HydrophobicContact CD2-CD1 4.08Å; L493-L661 HydrophobicContact CD2-CD2 4.34Å; L493-G787 VanDerWaalsContact C-CA 3.43Å; L493-G787 WeakPolarHBondContact O-CA 3.27Å
494I96.4Very high95.2Very high87 Ų8761.6 Ų61.645%0.44630%0.3SS..G310 helixtrans-57.8-27.4174.6-62.6174.3000111.4N492 L496 N497N492-I494 PolarHBondContact O-N 3.32Å; I494-L496 PolarHBondContact O-N 3.21Å; I494-L496 VanDerWaalsContact O-N 3.14Å; I494-N497 WeakPolarHBondContact O-CB 3.33Å; I494-N497 PolarHBondContact O-N 2.85Å; I494-N497 VanDerWaalsContact O-N 3.14Å; I494-N497 PolarHBondContact O-ND2 3.47Å
495M97.1Very high95.4Very high44 Ų4463.3 Ų63.322%0.21731%0.309CS..G310 helixtrans-60.1-21.6177-66.5176.866.100113.7D488 W489 N492 L493 N497 R498D488-M495 HydrophobicContact CB-CE 3.99Å; D488-M495 HydrophobicContact CB-SD 3.91Å; W489-M495 HydrophobicContact CB-CB 3.87Å; W489-M495 HydrophobicContact CB-SD 4.39Å; N492-M495 HydrophobicContact CB-CG 4.32Å; N492-M495 HydrophobicContact CB-SD 4.09Å; N492-M495 WeakPolarHBondContact O-CB 3.26Å; N492-M495 WeakPolarHBondContact O-CG 3.49Å; N492-M495 PolarHBondContact O-N 3.33Å; L493-M495 PolarHBondContact O-N 3.31Å; L493-M495 VanDerWaalsContact O-N 3.15Å; M495-N497 PolarHBondContact O-N 3.08Å; M495-R498 WeakPolarHBondContact O-CB 3.25Å; M495-R498 PolarHBondContact O-N 2.98Å
496L97.5Very high95.7Very high0 Ų056.2 Ų56.20%028%0.283CS..G310 helixtrans-57.7-20.9175.1-66.7-173.3000113I480 W489 L493 I494 R498 L499 L661 A784I480-L496 HydrophobicContact CD1-CD2 4.19Å; I480-L496 HydrophobicContact CG2-CD2 3.83Å; W489-L496 HydrophobicContact CD2-CD2 4.28Å; W489-L496 HydrophobicContact CE3-CD2 4.01Å; L493-L496 HydrophobicContact CD1-CD1 3.6Å; L493-L496 HydrophobicContact CD1-CG 4.03Å; L493-L496 HydrophobicContact CG-CD1 3.81Å; L493-L496 HydrophobicContact CG-CG 4.26Å; L493-L496 WeakPolarHBondContact O-CB 3.39Å; L493-L496 WeakPolarHBondContact O-CG 3.39Å; L493-L496 PolarHBondContact O-N 3.04Å; L493-L496 VanDerWaalsContact O-N 3.08Å; I494-L496 PolarHBondContact O-N 3.21Å; I494-L496 VanDerWaalsContact O-N 3.14Å; L496-R498 PolarHBondContact O-N 2.84Å; L496-R498 VanDerWaalsContact O-N 3.08Å; L496-L499 HydrophobicContact CB-CD1 4.47Å; L496-L499 HydrophobicContact CD2-CD1 4.02Å; L496-L499 VanDerWaalsContact O-CB 3.24Å; L496-L499 WeakPolarHBondContact O-CB 3.48Å; L496-L499 WeakPolarHBondContact O-CG 3.35Å; L496-L499 PolarHBondContact O-N 3.02Å; L496-L661 HydrophobicContact CD1-CD1 3.72Å; L496-A784 CarbonylContact C-O 3.54Å; L496-A784 VanDerWaalsContact C-O 3.25Å; L496-A784 WeakPolarHBondContact O-CA 3.4Å; L496-A784 WeakPolarHBondContact O-CB 3.34Å
497N97Very high96Very high55 Ų5560.6 Ų60.629%0.29430%0.304SS..G310 helixtrans-55-27.9173.9-86-54.2000113.2I494 M495 L499 K500 A784I494-N497 WeakPolarHBondContact O-CB 3.33Å; I494-N497 PolarHBondContact O-N 2.85Å; I494-N497 VanDerWaalsContact O-N 3.14Å; I494-N497 PolarHBondContact O-ND2 3.47Å; M495-N497 PolarHBondContact O-N 3.08Å; N497-L499 PolarHBondContact O-N 2.92Å; N497-K500 VanDerWaalsContact O-CB 3.27Å; N497-K500 WeakPolarHBondContact O-CB 3.26Å; N497-K500 VanDerWaalsContact O-CG 3.22Å; N497-K500 WeakPolarHBondContact O-CG 3.26Å; N497-K500 PolarHBondContact O-N 3.07Å; N497-K500 VanDerWaalsContact O-N 3.09Å; N497-K500 VanDerWaalsContact OD1-CE 3.24Å; N497-K500 WeakPolarHBondContact OD1-CE 3.17Å; N497-K500 PolarHBondContact OD1-NZ 3.28Å; N497-A784 VanDerWaalsContact CA-O 3.26Å; N497-A784 WeakPolarHBondContact CA-O 3.29Å; N497-A784 PolarHBondContact N-O 3.13Å; N497-A784 VanDerWaalsContact N-O 3.09Å; N497-A784 PolarHBondContact OD1-O 3.12Å
498R96.3Very high96.5Very high118 Ų11858.9 Ų58.945%0.44529%0.294SS..G310 helixtrans-63.2-23176.4-66.2176.664.3-165.8-2.6112.9M484 M495 L496 K500 E501M484-R498 HydrophobicContact CE-CB 3.74Å; M484-R498 HydrophobicContact SD-CB 3.89Å; M495-R498 WeakPolarHBondContact O-CB 3.25Å; M495-R498 PolarHBondContact O-N 2.98Å; L496-R498 PolarHBondContact O-N 2.84Å; L496-R498 VanDerWaalsContact O-N 3.08Å; R498-K500 PolarHBondContact O-N 3.38Å; R498-K500 VanDerWaalsContact O-N 3.11Å; R498-E501 WeakPolarHBondContact O-CB 3.33Å; R498-E501 WeakPolarHBondContact O-CG 3.47Å; R498-E501 PolarHBondContact O-N 3.48Å; R498-E501 VanDerWaalsContact O-N 3.09Å
499L97.2Very high96.7Very high1 Ų155 Ų551%0.00527%0.271CS..G310 helixtrans-62.7-16.9174.6-62.5176.6000112.7I480 T483 M484 L496 N497 E501 K502 F508 L780 I783 A784I480-L499 HydrophobicContact CD1-CD1 4.46Å; I480-L499 HydrophobicContact CG1-CD1 4.11Å; T483-L499 HydrophobicContact CG2-CD2 3.95Å; M484-L499 HydrophobicContact CE-CD2 4.28Å; M484-L499 HydrophobicContact CG-CD2 4.4Å; M484-L499 HydrophobicContact SD-CD2 4.35Å; L496-L499 HydrophobicContact CB-CD1 4.47Å; L496-L499 HydrophobicContact CD2-CD1 4.02Å; L496-L499 VanDerWaalsContact O-CB 3.24Å; L496-L499 WeakPolarHBondContact O-CB 3.48Å; L496-L499 WeakPolarHBondContact O-CG 3.35Å; L496-L499 PolarHBondContact O-N 3.02Å; N497-L499 PolarHBondContact O-N 2.92Å; L499-E501 PolarHBondContact O-N 3.41Å; L499-K502 WeakPolarHBondContact O-CB 3.27Å; L499-K502 PolarHBondContact O-N 2.8Å; L499-F508 HydrophobicContact CD2-CZ 4.37Å; L499-L780 HydrophobicContact CB-CD1 3.94Å; L499-I783 HydrophobicContact CD1-CG2 4.06Å; L499-A784 HydrophobicContact CB-CB 3.95Å
500K96.4Very high96.8Very high73 Ų7359.7 Ų59.732%0.31730%0.297SS..G310 helixtrans-57.7-29.1172.1-67.4175.8-175.5175.80112.3N497 R498 K502 L503 M781 A784N497-K500 VanDerWaalsContact O-CB 3.27Å; N497-K500 WeakPolarHBondContact O-CB 3.26Å; N497-K500 VanDerWaalsContact O-CG 3.22Å; N497-K500 WeakPolarHBondContact O-CG 3.26Å; N497-K500 PolarHBondContact O-N 3.07Å; N497-K500 VanDerWaalsContact O-N 3.09Å; N497-K500 VanDerWaalsContact OD1-CE 3.24Å; N497-K500 WeakPolarHBondContact OD1-CE 3.17Å; N497-K500 PolarHBondContact OD1-NZ 3.28Å; R498-K500 PolarHBondContact O-N 3.38Å; R498-K500 VanDerWaalsContact O-N 3.11Å; K500-K502 PolarHBondContact O-N 2.89Å; K500-L503 HydrophobicContact CB-CD1 4.09Å; K500-L503 HydrophobicContact CG-CD1 4.41Å; K500-L503 VanDerWaalsContact O-CB 3.26Å; K500-L503 WeakPolarHBondContact O-CB 3.39Å; K500-L503 WeakPolarHBondContact O-CD1 3.24Å; K500-L503 WeakPolarHBondContact O-CG 3.07Å; K500-L503 PolarHBondContact O-N 3.3Å; K500-M781 HydrophobicContact CD-CE 4.21Å; K500-M781 HydrophobicContact CD-SD 4.09Å; K500-M781 VanDerWaalsContact CE-CE 3.42Å; K500-M781 HydrophobicContact CG-SD 3.98Å; K500-A784 HydrophobicContact CG-CB 3.77Å
501E96.8Very high97Very high148 Ų14865.8 Ų65.869%0.69232%0.32SS*.G310 helixtrans-61.7-23.7175.5-64.2170.5-16500112.5R498 L499R498-E501 WeakPolarHBondContact O-CB 3.33Å; R498-E501 WeakPolarHBondContact O-CG 3.47Å; R498-E501 PolarHBondContact O-N 3.48Å; R498-E501 VanDerWaalsContact O-N 3.09Å; L499-E501 PolarHBondContact O-N 3.41Å
502K97.2Very high97.2Very high75 Ų7562.5 Ų62.533%0.32631%0.306SS..G310 helixtrans-90.83.7178-57.8-57.7-1741760113.7T483 L499 K500 N504 D505 F508 L780T483-K502 HydrophobicContact CG2-CG 4Å; L499-K502 WeakPolarHBondContact O-CB 3.27Å; L499-K502 PolarHBondContact O-N 2.8Å; K500-K502 PolarHBondContact O-N 2.89Å; K502-N504 PolarHBondContact O-N 2.9Å; K502-N504 VanDerWaalsContact O-N 3.14Å; K502-D505 HydrophobicContact CB-CB 4.34Å; K502-D505 HydrophobicContact CD-CB 4.24Å; K502-D505 IonicContact NZ-OD2 3.01Å; K502-D505 WeakPolarHBondContact O-CB 3.4Å; K502-D505 PolarHBondContact O-N 3.41Å; K502-F508 HydrophobicContact CB-CB 4.27Å; K502-F508 HydrophobicContact CB-CD1 3.7Å; K502-F508 HydrophobicContact CB-CD2 4.41Å; K502-F508 HydrophobicContact CB-CE1 4.18Å; K502-F508 HydrophobicContact CB-CG 3.84Å; K502-F508 HydrophobicContact CG-CD1 4.46Å; K502-F508 HydrophobicContact CG-CD2 4.33Å; K502-F508 HydrophobicContact CG-CG 4.22Å; K502-L780 HydrophobicContact CB-CD2 4.16Å
503L96.1Very high97.3Very high40 Ų4062 Ų6221%0.20930%0.302CS..THydrogen-bonded Turntrans-55.8-34.5-179.4-80.7168.1000113.5K500 R509 K777 L780 M781K500-L503 HydrophobicContact CB-CD1 4.09Å; K500-L503 HydrophobicContact CG-CD1 4.41Å; K500-L503 VanDerWaalsContact O-CB 3.26Å; K500-L503 WeakPolarHBondContact O-CB 3.39Å; K500-L503 WeakPolarHBondContact O-CD1 3.24Å; K500-L503 WeakPolarHBondContact O-CG 3.07Å; K500-L503 PolarHBondContact O-N 3.3Å; L503-R509 WeakPolarHBondContact O-CD 3.48Å; L503-R509 PolarHBondContact O-NH1 3Å; L503-K777 WeakPolarHBondContact O-CE 3.48Å; L503-L780 HydrophobicContact CD2-CB 4.19Å; L503-L780 HydrophobicContact CD2-CD2 4.12Å; L503-L780 HydrophobicContact CD2-CG 4.05Å; L503-L780 HydrophobicContact CG-CD2 4.41Å; L503-M781 HydrophobicContact CD1-SD 4.32Å; L503-M781 HydrophobicContact CD2-CB 4.29Å
504N97.4Very high97.4Very high126 Ų12667 Ų6767%0.67433%0.328SS*.THydrogen-bonded Turntrans-97.8-2.7179.2-66.2-40.7000113.8K502 G506 R509 K777K502-N504 PolarHBondContact O-N 2.9Å; K502-N504 VanDerWaalsContact O-N 3.14Å; N504-G506 PolarHBondContact O-N 3.49Å; N504-R509 VanDerWaalsContact CA-NH1 3.27Å; N504-R509 PolarHBondContact O-NH1 3.05Å; N504-R509 VanDerWaalsContact O-NH1 3.11Å; N504-K777 PolarHBondContact OD1-NZ 3.38Å
505D97.8Very high97.5Very high53 Ų5363.8 Ų63.828%0.28331%0.313SS..  trans-77.6103.6174.8-175.2-21000111.2K502 N507 F508 R509K502-D505 HydrophobicContact CB-CB 4.34Å; K502-D505 HydrophobicContact CD-CB 4.24Å; K502-D505 IonicContact NZ-OD2 3.01Å; K502-D505 WeakPolarHBondContact O-CB 3.4Å; K502-D505 PolarHBondContact O-N 3.41Å; D505-N507 VanDerWaalsContact C-N 3.32Å; D505-N507 PolarHBondContact O-N 2.9Å; D505-N507 WeakPolarHBondContact OD1-CB 3.3Å; D505-N507 PolarHBondContact OD1-N 2.97Å; D505-F508 HydrophobicContact CB-CB 3.9Å; D505-F508 PolarHBondContact O-N 2.61Å; D505-F508 PolarHBondContact OD1-N 3.02Å; D505-R509 VanDerWaalsContact C-NH1 3.25Å; D505-R509 WeakPolarHBondContact O-CG 3.35Å; D505-R509 PolarHBondContact O-N 3.35Å; D505-R509 VanDerWaalsContact O-N 3.1Å; D505-R509 PolarHBondContact O-NH1 3.42Å
506G97.5Very high97.6Very high26 Ų2662.4 Ų62.427%0.26831%0.306SS..Hα-helixtrans-62.6-36.2-179.900000113.7N504 R509 N510N504-G506 PolarHBondContact O-N 3.49Å; G506-R509 PolarHBondContact O-N 3.4Å; G506-N510 WeakPolarHBondContact O-CB 3.2Å; G506-N510 PolarHBondContact O-N 3.43Å; G506-N510 PolarHBondContact O-ND2 3.18Å; G506-N510 PolarHBondContact O-OD1 2.68Å
507N97.5Very high97.6Very high126 Ų12664.9 Ų64.967%0.67432%0.318SS*.Hα-helixtrans-69.2-42.9-179.7-70.7-23.4000110.9D505 N510 R511D505-N507 VanDerWaalsContact C-N 3.32Å; D505-N507 PolarHBondContact O-N 2.9Å; D505-N507 WeakPolarHBondContact OD1-CB 3.3Å; D505-N507 PolarHBondContact OD1-N 2.97Å; N507-N510 PolarHBondContact O-N 2.84Å; N507-R511 WeakPolarHBondContact O-CG 3.44Å; N507-R511 PolarHBondContact O-N 2.83Å
508F98.1Very high97.7Very high9 Ų966.5 Ų66.54%0.03933%0.326CS..Hα-helixtrans-61.3-46.3175.1-178.7-88.3000111.5L479 T483 L499 K502 D505 N510 R511 L512 L780L479-F508 HydrophobicContact CD1-CD2 4.08Å; L479-F508 HydrophobicContact CD1-CE2 3.75Å; L479-F508 HydrophobicContact CD2-CE2 4.16Å; L479-F508 HydrophobicContact CD2-CZ 4.13Å; L479-F508 HydrophobicContact CG-CE2 3.74Å; L479-F508 HydrophobicContact CG-CZ 4.09Å; T483-F508 HydrophobicContact CG2-CD2 4.35Å; T483-F508 HydrophobicContact CG2-CE2 3.97Å; T483-F508 WeakPolarHBondContact OG1-CE2 3.37Å; L499-F508 HydrophobicContact CD2-CZ 4.37Å; K502-F508 HydrophobicContact CB-CB 4.27Å; K502-F508 HydrophobicContact CB-CD1 3.7Å; K502-F508 HydrophobicContact CB-CD2 4.41Å; K502-F508 HydrophobicContact CB-CE1 4.18Å; K502-F508 HydrophobicContact CB-CG 3.84Å; K502-F508 HydrophobicContact CG-CD1 4.46Å; K502-F508 HydrophobicContact CG-CD2 4.33Å; K502-F508 HydrophobicContact CG-CG 4.22Å; D505-F508 HydrophobicContact CB-CB 3.9Å; D505-F508 PolarHBondContact O-N 2.61Å; D505-F508 PolarHBondContact OD1-N 3.02Å; F508-N510 VanDerWaalsContact C-N 3.34Å; F508-N510 PolarHBondContact O-N 3.36Å; F508-R511 PolarHBondContact O-N 2.98Å; F508-L512 HydrophobicContact CE1-CD2 4.4Å; F508-L512 PolarHBondContact O-N 3.49Å; F508-L780 HydrophobicContact CD1-CD1 4.48Å; F508-L780 HydrophobicContact CD1-CD2 3.84Å; F508-L780 HydrophobicContact CE1-CD1 3.57Å; F508-L780 HydrophobicContact CE1-CD2 3.76Å; F508-L780 HydrophobicContact CE1-CG 4.29Å; F508-L780 HydrophobicContact CZ-CD1 4.3Å
509R97.8Very high97.8Very high25 Ų2561.1 Ų61.19%0.09431%0.306CS..Hα-helixtrans-60.9-41.2177.6-70.9-166.4-49.2-78.3-5.5112.3L503 N504 D505 G506 L512 I513 S776 L780L503-R509 WeakPolarHBondContact O-CD 3.48Å; L503-R509 PolarHBondContact O-NH1 3Å; N504-R509 VanDerWaalsContact CA-NH1 3.27Å; N504-R509 PolarHBondContact O-NH1 3.05Å; N504-R509 VanDerWaalsContact O-NH1 3.11Å; D505-R509 VanDerWaalsContact C-NH1 3.25Å; D505-R509 WeakPolarHBondContact O-CG 3.35Å; D505-R509 PolarHBondContact O-N 3.35Å; D505-R509 VanDerWaalsContact O-N 3.1Å; D505-R509 PolarHBondContact O-NH1 3.42Å; G506-R509 PolarHBondContact O-N 3.4Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 3.32Å; R509-I513 WeakPolarHBondContact O-CG1 3.42Å; R509-I513 PolarHBondContact O-N 3.38Å; R509-S776 WeakPolarHBondContact CD-OG 3.32Å; R509-L780 HydrophobicContact CG-CD2 4.42Å
510N98Very high97.9Very high100 Ų10061.1 Ų61.154%0.53531%0.306SS..Hα-helixtrans-62.4-45.3176.5-70.2-9.7000111.5G506 N507 F508 L512 I513 L514G506-N510 WeakPolarHBondContact O-CB 3.2Å; G506-N510 PolarHBondContact O-N 3.43Å; G506-N510 PolarHBondContact O-ND2 3.18Å; G506-N510 PolarHBondContact O-OD1 2.68Å; N507-N510 PolarHBondContact O-N 2.84Å; F508-N510 VanDerWaalsContact C-N 3.34Å; F508-N510 PolarHBondContact O-N 3.36Å; N510-L512 VanDerWaalsContact C-N 3.3Å; N510-L512 PolarHBondContact O-N 2.95Å; N510-I513 PolarHBondContact O-N 2.98Å; N510-L514 WeakPolarHBondContact O-CG 3.4Å; N510-L514 PolarHBondContact O-N 2.95Å
511R98.3Very high98Very high127 Ų12760.8 Ų60.848%0.47931%0.308SS..Hα-helixtrans-59.8-39.9174.4-71.5176.765.3-159.6-3112.2L479 N507 F508 L514 V515L479-R511 HydrophobicContact CD1-CB 4.01Å; L479-R511 VanDerWaalsContact CD1-CZ 3.44Å; L479-R511 HydrophobicContact CD2-CB 4.4Å; N507-R511 WeakPolarHBondContact O-CG 3.44Å; N507-R511 PolarHBondContact O-N 2.83Å; F508-R511 PolarHBondContact O-N 2.98Å; R511-L514 PolarHBondContact O-N 3.15Å; R511-V515 WeakPolarHBondContact O-CG2 3.25Å; R511-V515 PolarHBondContact O-N 3.25Å; R511-V515 VanDerWaalsContact O-N 3.07Å
512L98.5Very high98Very high7 Ų759 Ų594%0.03730%0.295CS..Hα-helixtrans-62.5-43.6177177.660.6000112.3L476 L479 F508 R509 N510 V515 K516 V779 L780 I783L476-L512 HydrophobicContact CD1-CD1 3.55Å; L479-L512 HydrophobicContact CD2-CB 3.9Å; L479-L512 HydrophobicContact CD2-CD1 4.1Å; F508-L512 HydrophobicContact CE1-CD2 4.4Å; F508-L512 PolarHBondContact O-N 3.49Å; R509-L512 WeakPolarHBondContact O-CB 3.47Å; R509-L512 PolarHBondContact O-N 3.32Å; N510-L512 VanDerWaalsContact C-N 3.3Å; N510-L512 PolarHBondContact O-N 2.95Å; L512-V515 PolarHBondContact O-N 3.37Å; L512-K516 PolarHBondContact O-N 2.69Å; L512-V779 HydrophobicContact CD2-CG1 3.93Å; L512-V779 HydrophobicContact CG-CG1 4.25Å; L512-L780 HydrophobicContact CD2-CB 3.83Å; L512-L780 HydrophobicContact CD2-CD1 4.26Å; L512-I783 HydrophobicContact CD1-CD1 3.72Å; L512-I783 HydrophobicContact CD2-CD1 4.24Å
513I98.2Very high98.1Very high58 Ų5855.6 Ų55.630%0.29728%0.28SS..Hα-helixtrans-69.6-35.5177-62.8-55000111.6R509 N510 V515 K516 Q517R509-I513 WeakPolarHBondContact O-CG1 3.42Å; R509-I513 PolarHBondContact O-N 3.38Å; N510-I513 PolarHBondContact O-N 2.98Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 2.84Å; I513-K516 WeakPolarHBondContact O-CB 3.43Å; I513-K516 PolarHBondContact O-N 3.11Å; I513-K516 VanDerWaalsContact O-N 3.14Å; I513-Q517 PolarHBondContact O-N 2.77Å
514L98.4Very high98.2Very high108 Ų10854.8 Ų54.857%0.56528%0.277SS*.Hα-helixtrans-59.2-44.4172.6-72.3171000111.7N510 R511 K516 Q517 D518N510-L514 WeakPolarHBondContact O-CG 3.4Å; N510-L514 PolarHBondContact O-N 2.95Å; R511-L514 PolarHBondContact O-N 3.15Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 2.86Å; L514-Q517 WeakPolarHBondContact O-CB 3.46Å; L514-Q517 PolarHBondContact O-N 3.32Å; L514-D518 PolarHBondContact O-N 3.5Å
515V98.7Very high98.2Very high20 Ų2051.4 Ų51.412%0.12127%0.267CS..Hα-helixtrans-57.9-42.11741700000111.7L476 L479 R511 L512 I513 Q517 D518 N519L476-V515 HydrophobicContact CB-CG1 3.93Å; L479-V515 HydrophobicContact CD2-CG2 4.47Å; R511-V515 WeakPolarHBondContact O-CG2 3.25Å; R511-V515 PolarHBondContact O-N 3.25Å; R511-V515 VanDerWaalsContact O-N 3.07Å; L512-V515 PolarHBondContact O-N 3.37Å; I513-V515 VanDerWaalsContact C-N 3.34Å; I513-V515 PolarHBondContact O-N 2.84Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; V515-Q517 PolarHBondContact O-N 2.84Å; V515-D518 PolarHBondContact O-N 3.15Å; V515-N519 VanDerWaalsContact O-CG 3.24Å; V515-N519 PolarHBondContact O-N 3.42Å; V515-N519 PolarHBondContact O-ND2 3.32Å
516K98.8Very high98.1Very high15 Ų1549.7 Ų49.77%0.06526%0.256CS..Hα-helixtrans-60.7-44.1174.7179.562.460.3-179.90111.1L512 I513 L514 N519 K520 P636 T638 N662L512-K516 PolarHBondContact O-N 2.69Å; I513-K516 WeakPolarHBondContact O-CB 3.43Å; I513-K516 PolarHBondContact O-N 3.11Å; I513-K516 VanDerWaalsContact O-N 3.14Å; L514-K516 VanDerWaalsContact C-N 3.3Å; L514-K516 PolarHBondContact O-N 2.86Å; K516-N519 WeakPolarHBondContact O-CB 3.46Å; K516-N519 PolarHBondContact O-N 2.82Å; K516-K520 HydrophobicContact CG-CD 4.33Å; K516-K520 WeakPolarHBondContact O-CG 3.34Å; K516-K520 PolarHBondContact O-N 3.49Å; K516-P636 WeakPolarHBondContact CD-O 3.47Å; K516-P636 PolarHBondContact NZ-O 2.83Å; K516-T638 WeakPolarHBondContact CE-O 3.34Å; K516-T638 PolarHBondContact NZ-O 3.25Å; K516-N662 PolarHBondContact NZ-O 3.22Å
517Q98.6Very high98.1Very high53 Ų5348.5 Ų48.525%0.24824%0.243CC..Hα-helixtrans-64.4-41.2179.5-168.457.849.800112.1I513 L514 V515 N519 K520 N521 P537I513-Q517 PolarHBondContact O-N 2.77Å; L514-Q517 WeakPolarHBondContact O-CB 3.46Å; L514-Q517 PolarHBondContact O-N 3.32Å; V515-Q517 VanDerWaalsContact C-N 3.33Å; V515-Q517 PolarHBondContact O-N 2.84Å; Q517-N519 VanDerWaalsContact C-N 3.35Å; Q517-N519 PolarHBondContact O-N 2.9Å; Q517-K520 WeakPolarHBondContact O-CB 3.25Å; Q517-K520 PolarHBondContact O-N 3.48Å; Q517-N521 PolarHBondContact NE2-OD1 3.46Å; Q517-N521 VanDerWaalsContact O-CG 3.23Å; Q517-N521 PolarHBondContact O-N 2.83Å; Q517-N521 PolarHBondContact O-ND2 3.3Å; Q517-P537 PolarHBondContact NE2-O 3.08Å
518D98.6Very high98.1Very high88 Ų8845.6 Ų45.647%0.47123%0.226SC..Hα-helixtrans-64-40.9175.7-68.3-22.7000111.6L514 V515 K520 N521 R522L514-D518 PolarHBondContact O-N 3.5Å; V515-D518 PolarHBondContact O-N 3.15Å; D518-K520 VanDerWaalsContact C-N 3.31Å; D518-K520 PolarHBondContact O-N 3.41Å; D518-N521 PolarHBondContact O-N 3.01Å; D518-R522 WeakPolarHBondContact O-CG 3.46Å; D518-R522 PolarHBondContact O-N 3.24Å
519N98.8Very high97.9Very high6 Ų652.5 Ų52.53%0.03226%0.258CS..Hα-helixtrans-60.3-41.4173-70.4-26.3000112.1N473 V515 K516 Q517 R522 F523 P636 A637N473-N519 PolarHBondContact ND2-ND2 3.19Å; N473-N519 PolarHBondContact OD1-ND2 2.72Å; V515-N519 VanDerWaalsContact O-CG 3.24Å; V515-N519 PolarHBondContact O-N 3.42Å; V515-N519 PolarHBondContact O-ND2 3.32Å; K516-N519 WeakPolarHBondContact O-CB 3.46Å; K516-N519 PolarHBondContact O-N 2.82Å; Q517-N519 VanDerWaalsContact C-N 3.35Å; Q517-N519 PolarHBondContact O-N 2.9Å; N519-R522 PolarHBondContact O-N 2.97Å; N519-R522 PolarHBondContact OD1-NH2 3.01Å; N519-F523 PolarHBondContact O-N 3.11Å; N519-P636 HydrophobicContact CB-CB 4.01Å; N519-P636 WeakPolarHBondContact CB-O 3.28Å; N519-P636 WeakPolarHBondContact ND2-CB 3.33Å; N519-P636 PolarHBondContact ND2-O 2.57Å; N519-A637 HydrophobicContact CB-CB 4.44Å
520K98.8Very high97.6Very high1 Ų155.2 Ų55.20%0.00427%0.272CS..Hα-helixtrans-62.8-46.9174.8-70.4171.374.2178.90111K516 Q517 D518 R522 F523 V524 P537 S539 F541 A637 D639K516-K520 HydrophobicContact CG-CD 4.33Å; K516-K520 WeakPolarHBondContact O-CG 3.34Å; K516-K520 PolarHBondContact O-N 3.49Å; Q517-K520 WeakPolarHBondContact O-CB 3.25Å; Q517-K520 PolarHBondContact O-N 3.48Å; D518-K520 VanDerWaalsContact C-N 3.31Å; D518-K520 PolarHBondContact O-N 3.41Å; K520-R522 VanDerWaalsContact C-N 3.34Å; K520-R522 PolarHBondContact O-N 3.14Å; K520-F523 PolarHBondContact O-N 3.4Å; K520-F523 VanDerWaalsContact O-N 3.15Å; K520-V524 VanDerWaalsContact O-CG2 3.3Å; K520-V524 WeakPolarHBondContact O-CG2 3.32Å; K520-V524 PolarHBondContact O-N 3.31Å; K520-P537 HydrophobicContact CB-CB 4.35Å; K520-P537 WeakPolarHBondContact CE-O 3.3Å; K520-P537 PolarHBondContact NZ-O 2.97Å; K520-S539 WeakPolarHBondContact CE-O 3.21Å; K520-S539 PolarHBondContact NZ-O 3.11Å; K520-F541 HydrophobicContact CB-CE2 4.12Å; K520-F541 HydrophobicContact CD-CD2 4.47Å; K520-F541 HydrophobicContact CG-CD2 3.94Å; K520-F541 HydrophobicContact CG-CE2 4Å; K520-A637 HydrophobicContact CG-CB 4.17Å; K520-A637 WeakPolarHBondContact CG-O 3.15Å; K520-D639 WeakPolarHBondContact CE-OD2 3.32Å; K520-D639 IonicContact NZ-OD2 2.83Å; K520-D639 PolarHBondContact NZ-OD2 3.14Å
521N98.6Very high97.3Very high66 Ų6652.3 Ų52.335%0.35325%0.253SS..Hα-helixtrans-58.1-45.1177.6-67-24.4000111.7Q517 D518 F523 V524 A525 P537Q517-N521 PolarHBondContact NE2-OD1 3.46Å; Q517-N521 VanDerWaalsContact O-CG 3.23Å; Q517-N521 PolarHBondContact O-N 2.83Å; Q517-N521 PolarHBondContact O-ND2 3.3Å; D518-N521 PolarHBondContact O-N 3.01Å; N521-F523 PolarHBondContact O-N 3.18Å; N521-V524 PolarHBondContact O-N 3.02Å; N521-A525 WeakPolarHBondContact O-CB 3.21Å; N521-A525 PolarHBondContact O-N 3.27Å; N521-P537 VanDerWaalsContact OD1-CB 3.22Å; N521-P537 WeakPolarHBondContact OD1-CB 3.26Å; N521-P537 WeakPolarHBondContact OD1-CG 3.48Å
522R97.3Very high97.2Very high110 Ų11052.4 Ų52.442%0.41526%0.263SS..Hα-helixtrans-62-41.3175.5-70.2-168.6-63.9170.91.4112.6D518 N519 K520 A525 Y526D518-R522 WeakPolarHBondContact O-CG 3.46Å; D518-R522 PolarHBondContact O-N 3.24Å; N519-R522 PolarHBondContact O-N 2.97Å; N519-R522 PolarHBondContact OD1-NH2 3.01Å; K520-R522 VanDerWaalsContact C-N 3.34Å; K520-R522 PolarHBondContact O-N 3.14Å; R522-A525 PolarHBondContact O-N 3.09Å; R522-Y526 WeakPolarHBondContact O-CB 3.38Å; R522-Y526 PolarHBondContact O-N 3.4Å
523F98.3Very high96.9Very high3 Ų354.1 Ų54.11%0.01327%0.272CS..Hα-helixtrans-65.3-43.6175.6-177.4-103.6000111.8N519 K520 N521 A525 Y526 M527 L535 F541 I582 L623 R633 I634 A637N519-F523 PolarHBondContact O-N 3.11Å; K520-F523 PolarHBondContact O-N 3.4Å; K520-F523 VanDerWaalsContact O-N 3.15Å; N521-F523 PolarHBondContact O-N 3.18Å; F523-A525 PolarHBondContact O-N 3.5Å; F523-Y526 PolarHBondContact O-N 3.06Å; F523-M527 HydrophobicContact CD1-CG 3.99Å; F523-M527 HydrophobicContact CD2-CG 4.38Å; F523-M527 HydrophobicContact CE1-CG 3.53Å; F523-M527 HydrophobicContact CE1-SD 4.15Å; F523-M527 HydrophobicContact CE2-CG 3.96Å; F523-M527 HydrophobicContact CE2-SD 3.92Å; F523-M527 HydrophobicContact CG-CG 4.39Å; F523-M527 HydrophobicContact CZ-CE 4.44Å; F523-M527 HydrophobicContact CZ-CG 3.5Å; F523-M527 HydrophobicContact CZ-SD 3.52Å; F523-M527 VanDerWaalsContact CZ-SD 3.52Å; F523-M527 VanDerWaalsContact O-CG 3.24Å; F523-M527 WeakPolarHBondContact O-CG 3.42Å; F523-M527 PolarHBondContact O-N 3.03Å; F523-L535 HydrophobicContact CD1-CD1 4.09Å; F523-L535 HydrophobicContact CE1-CD1 3.71Å; F523-F541 AromaticContact CD1-CE2 3.81Å; F523-F541 HydrophobicContact CD1-CE2 3.81Å; F523-I582 HydrophobicContact CE1-CD1 4Å; F523-L623 HydrophobicContact CZ-CD1 4.15Å; F523-R633 HydrophobicContact CD2-CB 4.1Å; F523-I634 HydrophobicContact CD1-CD1 4.07Å; F523-I634 HydrophobicContact CD2-CB 4.38Å; F523-I634 HydrophobicContact CD2-CD1 4.28Å; F523-I634 HydrophobicContact CE1-CD1 3.62Å; F523-I634 HydrophobicContact CE2-CB 3.92Å; F523-I634 HydrophobicContact CE2-CD1 3.87Å; F523-I634 HydrophobicContact CE2-CG1 4.42Å; F523-I634 HydrophobicContact CG-CD1 4.38Å; F523-I634 HydrophobicContact CZ-CB 4.35Å; F523-I634 HydrophobicContact CZ-CD1 3.52Å; F523-I634 HydrophobicContact CZ-CG1 4.37Å; F523-A637 HydrophobicContact CB-CB 3.71Å; F523-A637 HydrophobicContact CG-CB 4.19Å
524V98.3Very high96.8Very high23 Ų2358.1 Ų58.114%0.13929%0.29CS..Hα-helixtrans-59.6-46.2175.7173.50000111.2K520 N521 Y526 M527 Q528 L535 P537 F541K520-V524 VanDerWaalsContact O-CG2 3.3Å; K520-V524 WeakPolarHBondContact O-CG2 3.32Å; K520-V524 PolarHBondContact O-N 3.31Å; N521-V524 PolarHBondContact O-N 3.02Å; V524-Y526 VanDerWaalsContact C-N 3.34Å; V524-Y526 PolarHBondContact O-N 3.17Å; V524-M527 PolarHBondContact O-N 3.08Å; V524-Q528 PolarHBondContact O-N 2.98Å; V524-L535 HydrophobicContact CG1-CB 4.28Å; V524-L535 WeakPolarHBondContact CG1-O 3.34Å; V524-L535 HydrophobicContact CG2-CB 3.75Å; V524-P537 HydrophobicContact CG2-CB 3.89Å; V524-F541 HydrophobicContact CG2-CE2 4.42Å; V524-F541 HydrophobicContact CG2-CZ 3.79Å
525A97.4Very high96.7Very high56 Ų5653.7 Ų53.746%0.46327%0.266SS..Hα-helixtrans-59.1-45.5176.800000111.7N521 R522 F523 M527 Q528 Q529N521-A525 WeakPolarHBondContact O-CB 3.21Å; N521-A525 PolarHBondContact O-N 3.27Å; R522-A525 PolarHBondContact O-N 3.09Å; F523-A525 PolarHBondContact O-N 3.5Å; A525-M527 PolarHBondContact O-N 3.41Å; A525-Q528 PolarHBondContact O-N 3.29Å; A525-Q529 WeakPolarHBondContact O-CB 3.45Å; A525-Q529 PolarHBondContact O-N 3.17Å
526Y96Very high96.6Very high17 Ų1755.6 Ų55.67%0.06728%0.276CS..Hα-helixtrans-59.2-46.4175.7174.1-94.6000112.3R522 F523 V524 Q528 Q529 H530 L630R522-Y526 WeakPolarHBondContact O-CB 3.38Å; R522-Y526 PolarHBondContact O-N 3.4Å; F523-Y526 PolarHBondContact O-N 3.06Å; V524-Y526 VanDerWaalsContact C-N 3.34Å; V524-Y526 PolarHBondContact O-N 3.17Å; Y526-Q528 VanDerWaalsContact C-N 3.31Å; Y526-Q528 PolarHBondContact O-N 2.97Å; Y526-Q529 PolarHBondContact O-N 2.87Å; Y526-H530 HydrophobicContact CD2-CB 4.5Å; Y526-H530 AromaticContact CD2-CE1 3.73Å; Y526-H530 AromaticContact CD2-CG 3.91Å; Y526-H530 AromaticContact CD2-ND1 3.34Å; Y526-H530 VanDerWaalsContact CD2-ND1 3.34Å; Y526-H530 WeakPolarHBondContact CD2-ND1 3.09Å; Y526-H530 HydrophobicContact CE2-CB 4.14Å; Y526-H530 AromaticContact CE2-CE1 3.95Å; Y526-H530 AromaticContact CE2-CG 3.66Å; Y526-H530 AromaticContact CE2-ND1 3.58Å; Y526-H530 WeakPolarHBondContact O-CB 3.4Å; Y526-H530 PolarHBondContact O-N 2.84Å; Y526-H530 PolarHBondContact O-ND1 3.2Å; Y526-L630 HydrophobicContact CE1-CD1 3.78Å
527M97.2Very high96.5Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-64-36.9179.7-69.4-60.6-6600112F523 V524 A525 R531 N532 I533 L535 I621 L623F523-M527 HydrophobicContact CD1-CG 3.99Å; F523-M527 HydrophobicContact CD2-CG 4.38Å; F523-M527 HydrophobicContact CE1-CG 3.53Å; F523-M527 HydrophobicContact CE1-SD 4.15Å; F523-M527 HydrophobicContact CE2-CG 3.96Å; F523-M527 HydrophobicContact CE2-SD 3.92Å; F523-M527 HydrophobicContact CG-CG 4.39Å; F523-M527 HydrophobicContact CZ-CE 4.44Å; F523-M527 HydrophobicContact CZ-CG 3.5Å; F523-M527 HydrophobicContact CZ-SD 3.52Å; F523-M527 VanDerWaalsContact CZ-SD 3.52Å; F523-M527 VanDerWaalsContact O-CG 3.24Å; F523-M527 WeakPolarHBondContact O-CG 3.42Å; F523-M527 PolarHBondContact O-N 3.03Å; V524-M527 PolarHBondContact O-N 3.08Å; A525-M527 PolarHBondContact O-N 3.41Å; M527-R531 HydrophobicContact CE-CB 4.43Å; M527-R531 CarbonylContact O-C 3.59Å; M527-R531 WeakPolarHBondContact O-CA 3.14Å; M527-R531 WeakPolarHBondContact O-CB 3.46Å; M527-R531 PolarHBondContact O-N 3.47Å; M527-R531 VanDerWaalsContact O-N 3.1Å; M527-N532 PolarHBondContact O-N 3.46Å; M527-I533 CarbonylContact C-O 3.56Å; M527-I533 HydrophobicContact CB-CB 4.46Å; M527-I533 HydrophobicContact CE-CB 4.15Å; M527-I533 HydrophobicContact CE-CD1 3.67Å; M527-I533 HydrophobicContact CE-CG1 4.46Å; M527-I533 HydrophobicContact CE-CG2 4.31Å; M527-I533 PolarHBondContact O-N 3.34Å; M527-I533 VanDerWaalsContact O-N 3.08Å; M527-L535 HydrophobicContact CB-CD1 4.12Å; M527-L535 HydrophobicContact CG-CD1 3.89Å; M527-I621 HydrophobicContact CE-CD1 4.06Å; M527-L623 HydrophobicContact CE-CD1 3.76Å; M527-L623 HydrophobicContact SD-CD1 3.74Å
528Q96.8Very high96.4Very high66 Ų6657.8 Ų57.831%0.30830%0.298SS..Hα-helixtrans-67.5-51.6174.7-176.255.134.900111.3V524 A525 Y526 N532 I533V524-Q528 PolarHBondContact O-N 2.98Å; A525-Q528 PolarHBondContact O-N 3.29Å; Y526-Q528 VanDerWaalsContact C-N 3.31Å; Y526-Q528 PolarHBondContact O-N 2.97Å; Q528-N532 PolarHBondContact NE2-OD1 2.89Å; Q528-N532 VanDerWaalsContact NE2-OD1 3.13Å; Q528-N532 VanDerWaalsContact O-CA 3.24Å; Q528-N532 WeakPolarHBondContact O-CA 3.49Å; Q528-N532 PolarHBondContact O-N 3.13Å; Q528-I533 PolarHBondContact N-O 2.93Å
529Q94Very high96.4Very high154 Ų15453.7 Ų53.772%0.7228%0.277SS*.Hα-helixtrans-67.7-41.8-174.6-177.7-179.4-5.300113.1A525 Y526A525-Q529 WeakPolarHBondContact O-CB 3.45Å; A525-Q529 PolarHBondContact O-N 3.17Å; Y526-Q529 PolarHBondContact O-N 2.87Å
530H91.7Very high96.4Very high81 Ų8153.4 Ų53.438%0.37528%0.275SS..Hα-helixtrans-102.1-15.8-170.2-61.880.6000113.7Y526Y526-H530 HydrophobicContact CD2-CB 4.5Å; Y526-H530 AromaticContact CD2-CE1 3.73Å; Y526-H530 AromaticContact CD2-CG 3.91Å; Y526-H530 AromaticContact CD2-ND1 3.34Å; Y526-H530 VanDerWaalsContact CD2-ND1 3.34Å; Y526-H530 WeakPolarHBondContact CD2-ND1 3.09Å; Y526-H530 HydrophobicContact CE2-CB 4.14Å; Y526-H530 AromaticContact CE2-CE1 3.95Å; Y526-H530 AromaticContact CE2-CG 3.66Å; Y526-H530 AromaticContact CE2-ND1 3.58Å; Y526-H530 WeakPolarHBondContact O-CB 3.4Å; Y526-H530 PolarHBondContact O-N 2.84Å; Y526-H530 PolarHBondContact O-ND1 3.2Å
531R92.7Very high96.4Very high39 Ų3953.4 Ų53.415%0.14728%0.275CS..Hα-helixtrans-133.3-4.6-175-55.2-172.2177.6-146.4-5.8113.8M527 I533 R624 L630M527-R531 HydrophobicContact CE-CB 4.43Å; M527-R531 CarbonylContact O-C 3.59Å; M527-R531 WeakPolarHBondContact O-CA 3.14Å; M527-R531 WeakPolarHBondContact O-CB 3.46Å; M527-R531 PolarHBondContact O-N 3.47Å; M527-R531 VanDerWaalsContact O-N 3.1Å; R531-I533 HydrophobicContact CB-CD1 4Å; R531-I533 HydrophobicContact CB-CG1 4.2Å; R531-I533 PolarHBondContact O-N 3.37Å; R531-R624 VanDerWaalsContact CZ-O 3.27Å; R531-R624 VanDerWaalsContact NH1-CG 3.33Å; R531-R624 PolarHBondContact NH1-O 2.98Å; R531-R624 PolarHBondContact NH2-O 2.79Å; R531-L630 VanDerWaalsContact NH2-CD2 3.26Å
532N94.8Very high96.4Very high129 Ų12950.3 Ų50.369%0.6926%0.258SS*.  trans52.440.1-175.7-165.334.5000112.8M527 Q528M527-N532 PolarHBondContact O-N 3.46Å; Q528-N532 PolarHBondContact NE2-OD1 2.89Å; Q528-N532 VanDerWaalsContact NE2-OD1 3.13Å; Q528-N532 VanDerWaalsContact O-CA 3.24Å; Q528-N532 WeakPolarHBondContact O-CA 3.49Å; Q528-N532 PolarHBondContact O-N 3.13Å
533I93.7Very high96.5Very high44 Ų4445 Ų4523%0.22624%0.239CC..  trans-112114.8177.7-65.2169.4000108.7M527 Q528 R531 L535 I621M527-I533 CarbonylContact C-O 3.56Å; M527-I533 HydrophobicContact CB-CB 4.46Å; M527-I533 HydrophobicContact CE-CB 4.15Å; M527-I533 HydrophobicContact CE-CD1 3.67Å; M527-I533 HydrophobicContact CE-CG1 4.46Å; M527-I533 HydrophobicContact CE-CG2 4.31Å; M527-I533 PolarHBondContact O-N 3.34Å; M527-I533 VanDerWaalsContact O-N 3.08Å; Q528-I533 PolarHBondContact N-O 2.93Å; R531-I533 HydrophobicContact CB-CD1 4Å; R531-I533 HydrophobicContact CB-CG1 4.2Å; R531-I533 PolarHBondContact O-N 3.37Å; I533-L535 HydrophobicContact CG2-CD2 3.67Å; I533-L535 HydrophobicContact CG2-CG 4.04Å; I533-I621 HydrophobicContact CG2-CG2 4.16Å
534Q94.5Very high96.5Very high142 Ų14245.2 Ų45.266%0.66424%0.239SC*.  trans-80.7127.1172.8-69.1-176.3-4.500110.9K619Q534-K619 WeakPolarHBondContact O-CE 3.46Å; Q534-K619 PolarHBondContact O-NZ 3.18Å
535L96.7Very high96.5Very high14 Ų1444.4 Ų44.47%0.07323%0.234CC..  trans-126.1146.4177.9-58.5-179.7000109.9F523 V524 M527 I533 P537 F541 T580 K619 I621F523-L535 HydrophobicContact CD1-CD1 4.09Å; F523-L535 HydrophobicContact CE1-CD1 3.71Å; V524-L535 HydrophobicContact CG1-CB 4.28Å; V524-L535 WeakPolarHBondContact CG1-O 3.34Å; V524-L535 HydrophobicContact CG2-CB 3.75Å; M527-L535 HydrophobicContact CB-CD1 4.12Å; M527-L535 HydrophobicContact CG-CD1 3.89Å; I533-L535 HydrophobicContact CG2-CD2 3.67Å; I533-L535 HydrophobicContact CG2-CG 4.04Å; L535-P537 WeakPolarHBondContact O-CD 3.32Å; L535-F541 HydrophobicContact CB-CZ 4.39Å; L535-F541 HydrophobicContact CD1-CZ 4.45Å; L535-T580 HydrophobicContact CD2-CG2 3.94Å; L535-K619 HydrophobicContact CD2-CD 3.93Å; L535-I621 HydrophobicContact CD1-CD1 4.14Å; L535-I621 HydrophobicContact CD2-CD1 4Å; L535-I621 HydrophobicContact CD2-CG2 4.12Å
536N96.6Very high96.5Very high61 Ų6143 Ų4333%0.32622%0.218SC..  trans-88.6109.2174.2178.50.7000109.7S538 S539 F541N536-S538 PolarHBondContact O-N 3.24Å; N536-S538 WeakPolarHBondContact OD1-CB 3.35Å; N536-S538 PolarHBondContact OD1-N 3.21Å; N536-S539 WeakPolarHBondContact O-CB 3.38Å; N536-S539 PolarHBondContact O-N 3.09Å; N536-S539 VanDerWaalsContact O-N 3.09Å; N536-S539 PolarHBondContact O-OG 3.09Å; N536-F541 WeakPolarHBondContact O-CE1 3.22Å
537P97.5Very high96.4Very high30 Ų3046.2 Ų46.220%0.19523%0.23CC..THydrogen-bonded Turntrans-69.8-12.1-178.432.2-37.4000113.3Q517 K520 N521 V524 L535Q517-P537 PolarHBondContact NE2-O 3.08Å; K520-P537 HydrophobicContact CB-CB 4.35Å; K520-P537 WeakPolarHBondContact CE-O 3.3Å; K520-P537 PolarHBondContact NZ-O 2.97Å; N521-P537 VanDerWaalsContact OD1-CB 3.22Å; N521-P537 WeakPolarHBondContact OD1-CB 3.26Å; N521-P537 WeakPolarHBondContact OD1-CG 3.48Å; V524-P537 HydrophobicContact CG2-CB 3.89Å; L535-P537 WeakPolarHBondContact O-CD 3.32Å
538S97Very high96.4Very high84 Ų8446.4 Ų46.459%0.58723%0.231SC*.THydrogen-bonded Turntrans-85-11.1173.3-53.70000113.2N536N536-S538 PolarHBondContact O-N 3.24Å; N536-S538 WeakPolarHBondContact OD1-CB 3.35Å; N536-S538 PolarHBondContact OD1-N 3.21Å
539S98Very high96.3Very high2 Ų244.4 Ų44.41%0.01422%0.222CC..SBendtrans-77152.8175.5690000111.7K520 N536 F541 P578 T580K520-S539 WeakPolarHBondContact CE-O 3.21Å; K520-S539 PolarHBondContact NZ-O 3.11Å; N536-S539 WeakPolarHBondContact O-CB 3.38Å; N536-S539 PolarHBondContact O-N 3.09Å; N536-S539 VanDerWaalsContact O-N 3.09Å; N536-S539 PolarHBondContact O-OG 3.09Å; S539-F541 PolarHBondContact O-N 2.8Å; S539-P578 CarbonylContact C-O 3.34Å; S539-P578 VanDerWaalsContact CA-O 3.3Å; S539-P578 WeakPolarHBondContact CA-O 3.38Å; S539-P578 WeakPolarHBondContact CB-O 3.27Å; S539-T580 WeakPolarHBondContact OG-CB 3.4Å; S539-T580 PolarHBondContact OG-OG1 2.81Å
540L98.7Very high96.4Very high0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans-64119.9171.1-174.9162.8000109.2D542 P578 R579 T580 D639 L640 V765 Y769L540-D542 HydrophobicContact CD2-CB 3.74Å; L540-D542 PolarHBondContact O-N 2.84Å; L540-P578 PolarHBondContact N-O 3.05Å; L540-R579 HydrophobicContact CD2-CG 4.3Å; L540-T580 PolarHBondContact O-N 2.78Å; L540-D639 HydrophobicContact CG-CB 4.24Å; L540-L640 HydrophobicContact CD2-CB 3.94Å; L540-V765 HydrophobicContact CD1-CG1 3.91Å; L540-Y769 HydrophobicContact CB-CD1 4.25Å; L540-Y769 HydrophobicContact CB-CE1 3.92Å; L540-Y769 HydrophobicContact CB-CE2 4.23Å; L540-Y769 HydrophobicContact CD1-CD1 4.07Å; L540-Y769 HydrophobicContact CD1-CD2 3.69Å; L540-Y769 HydrophobicContact CD1-CE1 4.49Å; L540-Y769 HydrophobicContact CD1-CE2 4.15Å; L540-Y769 HydrophobicContact CD1-CG 3.65Å; L540-Y769 HydrophobicContact CG-CD2 4.08Å; L540-Y769 HydrophobicContact CG-CE1 4.49Å; L540-Y769 HydrophobicContact CG-CE2 4.02Å; L540-Y769 HydrophobicContact CG-CG 4.36Å
541F98.9Very high96.6Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-84.5102.7174.7-80.912.5000110.1K520 F523 V524 L535 N536 S539 V543 T580 I582 A637 D639 L640K520-F541 HydrophobicContact CB-CE2 4.12Å; K520-F541 HydrophobicContact CD-CD2 4.47Å; K520-F541 HydrophobicContact CG-CD2 3.94Å; K520-F541 HydrophobicContact CG-CE2 4Å; F523-F541 AromaticContact CD1-CE2 3.81Å; F523-F541 HydrophobicContact CD1-CE2 3.81Å; V524-F541 HydrophobicContact CG2-CE2 4.42Å; V524-F541 HydrophobicContact CG2-CZ 3.79Å; L535-F541 HydrophobicContact CB-CZ 4.39Å; L535-F541 HydrophobicContact CD1-CZ 4.45Å; N536-F541 WeakPolarHBondContact O-CE1 3.22Å; S539-F541 PolarHBondContact O-N 2.8Å; F541-V543 HydrophobicContact CB-CG2 4.35Å; F541-T580 HydrophobicContact CD1-CG2 4.39Å; F541-T580 HydrophobicContact CE1-CG2 4.3Å; F541-I582 HydrophobicContact CD2-CD1 4.26Å; F541-I582 HydrophobicContact CG-CD1 4.3Å; F541-A637 HydrophobicContact CD2-CB 4.31Å; F541-A637 WeakPolarHBondContact CD2-O 3.26Å; F541-D639 PolarHBondContact N-OD2 3.08Å; F541-D639 PolarHBondContact O-N 3.01Å; F541-D639 VanDerWaalsContact O-N 3.13Å; F541-L640 PolarHBondContact O-N 2.91Å
542D98.9Very high96.8Very high1 Ų135.8 Ų35.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-99.9110.7-178.9-171.2-13.8000109.5L540 R579 T580 I581 I582 E642 Q762L540-D542 HydrophobicContact CD2-CB 3.74Å; L540-D542 PolarHBondContact O-N 2.84Å; D542-R579 HydrophobicContact CB-CG 4.18Å; D542-R579 IonicContact OD2-CZ 3.31Å; D542-R579 IonicContact OD2-NE 3.21Å; D542-R579 IonicContact OD2-NH1 3.07Å; D542-T580 PolarHBondContact N-O 2.78Å; D542-I581 HydrophobicContact CB-CG1 4.42Å; D542-I581 CarbonylContact O-C 3.5Å; D542-I581 WeakPolarHBondContact O-CA 3.45Å; D542-I582 PolarHBondContact O-N 3.49Å; D542-E642 WeakPolarHBondContact OD1-CG 3.24Å; D542-Q762 PolarHBondContact OD2-NE2 2.87Å; D542-Q762 VanDerWaalsContact OD2-NE2 3.15Å
543V98.9Very high97Very high0 Ų029.7 Ų29.70%015%0.149CC..EExtended strand (participates in β ladder)trans-124.6121-159.8-175.90000112.9F541 V545 I582 I634 T638 L640 E642 F659F541-V543 HydrophobicContact CB-CG2 4.35Å; V543-V545 HydrophobicContact CG1-CB 4.36Å; V543-V545 HydrophobicContact CG1-CG1 3.72Å; V543-V545 HydrophobicContact CG1-CG2 3.88Å; V543-I582 WeakPolarHBondContact CA-O 3.34Å; V543-I582 HydrophobicContact CG1-CB 4.49Å; V543-I582 HydrophobicContact CG2-CB 4.12Å; V543-I582 HydrophobicContact CG2-CD1 4.12Å; V543-I582 HydrophobicContact CG2-CG1 4.42Å; V543-I634 HydrophobicContact CG1-CD1 4.35Å; V543-I634 HydrophobicContact CG1-CG1 3.76Å; V543-I634 HydrophobicContact CG2-CD1 4.06Å; V543-I634 HydrophobicContact CG2-CG1 4.31Å; V543-T638 HydrophobicContact CB-CG2 3.68Å; V543-T638 HydrophobicContact CG2-CG2 3.63Å; V543-T638 VanDerWaalsContact CG2-OG1 3.29Å; V543-T638 WeakPolarHBondContact CG2-OG1 3.27Å; V543-L640 PolarHBondContact N-O 2.78Å; V543-E642 WeakPolarHBondContact O-CB 3.4Å; V543-E642 PolarHBondContact O-N 3.4Å; V543-F659 HydrophobicContact CG1-CE1 4.4Å; V543-F659 HydrophobicContact CG1-CZ 4.08Å
544H98.8Very high97.2Very high6 Ų627.6 Ų27.63%0.02814%0.139CC..EExtended strand (participates in β ladder)trans-117.787.8171.2-169.396.8000110.8K552 P557 I582 I583 G584 E642H544-K552 PolarHBondContact CE1-O 3.32Å; H544-P557 HydrophobicContact CB-CG 4.27Å; H544-I582 PolarHBondContact N-O 2.84Å; H544-I583 HydrophobicContact CB-CG1 4.35Å; H544-I583 HydrophobicContact CB-CG2 4.47Å; H544-I583 CarbonylContact O-C 3.25Å; H544-I583 WeakPolarHBondContact O-CA 3.32Å; H544-G584 PolarHBondContact O-N 3.15Å; H544-E642 HydrophobicContact CB-CB 3.72Å; H544-E642 HydrophobicContact CB-CG 4.17Å; H544-E642 WeakPolarHBondContact ND1-CB 3.36Å
545V98.3Very high97.4Very high6 Ų621.5 Ų21.54%0.03611%0.11CC..EExtended strand (participates in β ladder)trans-118.3111.9179.5-64.50000112.7V543 G584 L623 Y626 I634 F659V543-V545 HydrophobicContact CG1-CB 4.36Å; V543-V545 HydrophobicContact CG1-CG1 3.72Å; V543-V545 HydrophobicContact CG1-CG2 3.88Å; V545-G584 VanDerWaalsContact CA-O 3.3Å; V545-G584 WeakPolarHBondContact CA-O 3.41Å; V545-L623 HydrophobicContact CG1-CD2 4.14Å; V545-Y626 HydrophobicContact CB-CD2 3.97Å; V545-Y626 HydrophobicContact CB-CE1 4.23Å; V545-Y626 HydrophobicContact CB-CE2 3.61Å; V545-Y626 HydrophobicContact CB-CG 4.43Å; V545-Y626 HydrophobicContact CG1-CD2 4.31Å; V545-Y626 HydrophobicContact CG1-CE2 4.24Å; V545-Y626 HydrophobicContact CG2-CE2 3.71Å; V545-I634 HydrophobicContact CG2-CG2 4.29Å; V545-F659 HydrophobicContact CG2-CE2 4.1Å; V545-F659 HydrophobicContact CG2-CZ 3.67Å
546K96.8Very high97.5Very high26 Ų2620.8 Ų20.811%0.11311%0.107CC..SBendtrans-172.4173.5-179.854.4-163.978.9-176.10110V548 K552 G584 G585 E642K546-V548 PolarHBondContact O-N 2.66Å; K546-K552 HydrophobicContact CB-CD 4.38Å; K546-K552 HydrophobicContact CD-CB 4.08Å; K546-K552 HydrophobicContact CD-CD 3.75Å; K546-K552 HydrophobicContact CD-CG 4.17Å; K546-K552 HydrophobicContact CG-CD 3.88Å; K546-G584 PolarHBondContact N-O 2.94Å; K546-G585 WeakPolarHBondContact O-CA 3.38Å; K546-E642 PolarHBondContact NZ-O 3.14Å
547R94.7Very high97.6Very high85 Ų8517.9 Ų17.932%0.3219%0.091SC..  trans-52.8134.6171.8-166.1-178-65.1160.2-2.4109.8L549 K552 K586R547-L549 HydrophobicContact CG-CD1 4.46Å; R547-L549 HydrophobicContact CG-CG 4.24Å; R547-L549 PolarHBondContact O-N 2.76Å; R547-K552 VanDerWaalsContact O-CD 3.25Å; R547-K552 WeakPolarHBondContact O-CD 3.32Å; R547-K586 WeakPolarHBondContact CG-O 3.29Å
548V96.5Very high97.6Very high4 Ų416.5 Ų16.52%0.0248%0.082CC..  trans-78.9107.7-179.1-177.40000108.4K546 P554 K586 A587 A594 I598 F622K546-V548 PolarHBondContact O-N 2.66Å; V548-P554 HydrophobicContact CG1-CG 4.14Å; V548-K586 PolarHBondContact N-O 2.97Å; V548-A587 HydrophobicContact CB-CB 4.33Å; V548-A594 HydrophobicContact CG1-CB 4.15Å; V548-A594 WeakPolarHBondContact O-CB 3.49Å; V548-I598 HydrophobicContact CB-CD1 4.33Å; V548-I598 HydrophobicContact CB-CG1 4.39Å; V548-I598 HydrophobicContact CG1-CD1 4.47Å; V548-I598 HydrophobicContact CG1-CG1 4.07Å; V548-I598 HydrophobicContact CG2-CD1 3.98Å; V548-I598 HydrophobicContact CG2-CG1 4Å; V548-F622 HydrophobicContact CG2-CZ 4.38Å
549L94.4Very high97.7Very high24 Ų2412.7 Ų12.713%0.1266%0.055CC..  trans-137.7144.8178.1-62.6173.3000108.7R547 Y551 K552 P554 Y591R547-L549 HydrophobicContact CG-CD1 4.46Å; R547-L549 HydrophobicContact CG-CG 4.24Å; R547-L549 PolarHBondContact O-N 2.76Å; L549-Y551 VanDerWaalsContact C-N 3.3Å; L549-Y551 HydrophobicContact CB-CD1 3.96Å; L549-Y551 HydrophobicContact CB-CE1 3.97Å; L549-Y551 HydrophobicContact CD1-CD1 4.19Å; L549-Y551 HydrophobicContact CD1-CE1 3.36Å; L549-Y551 HydrophobicContact CG-CE1 4.27Å; L549-Y551 PolarHBondContact O-N 2.56Å; L549-K552 HydrophobicContact CB-CD 4.24Å; L549-K552 HydrophobicContact CB-CG 4.3Å; L549-K552 HydrophobicContact CD1-CD 4.22Å; L549-K552 HydrophobicContact CG-CD 4.49Å; L549-K552 PolarHBondContact O-N 3.04Å; L549-K552 VanDerWaalsContact O-N 3.08Å; L549-P554 WeakPolarHBondContact O-CD 3.29Å; L549-Y591 HydrophobicContact CD2-CD2 3.88Å; L549-Y591 HydrophobicContact CD2-CE2 3.63Å
550E96.1Very high97.8Very high25 Ų2512.9 Ų12.912%0.1176%0.056CC..G310 helixtrans-56.8-42.6-178.8-65.3-176.362.200112.1K552 R553 Y591 M593 I597 K742 F749E550-K552 PolarHBondContact O-N 3.29Å; E550-R553 WeakPolarHBondContact O-CA 3.44Å; E550-R553 PolarHBondContact O-N 2.73Å; E550-Y591 HydrophobicContact CG-CE1 4.5Å; E550-Y591 WeakPolarHBondContact CG-OH 3.44Å; E550-Y591 WeakPolarHBondContact OE2-CE1 3.35Å; E550-Y591 PolarHBondContact OE2-OH 2.8Å; E550-M593 VanDerWaalsContact CD-CG 3.45Å; E550-M593 HydrophobicContact CG-CB 4.48Å; E550-M593 HydrophobicContact CG-CG 3.95Å; E550-M593 WeakPolarHBondContact OE2-CB 3.32Å; E550-M593 WeakPolarHBondContact OE2-CG 3.5Å; E550-I597 HydrophobicContact CG-CD1 4.1Å; E550-K742 WeakPolarHBondContact OE1-CE 3.44Å; E550-K742 IonicContact OE1-NZ 2.71Å; E550-K742 PolarHBondContact OE1-NZ 3.24Å; E550-K742 IonicContact OE2-NZ 3.67Å; E550-K742 PolarHBondContact OE2-NZ 3.25Å; E550-F749 HydrophobicContact CB-CD2 3.48Å; E550-F749 VanDerWaalsContact CB-CD2 3.48Å; E550-F749 HydrophobicContact CB-CE2 3.32Å; E550-F749 HydrophobicContact CB-CZ 4.34Å; E550-F749 HydrophobicContact CG-CE2 4.4Å
551Y95.8Very high97.8Very high47 Ų4712.9 Ų12.918%0.1846%0.056CC..G310 helixtrans-66.7-22.9179.881.3-106000114.1L549 R553 P645 C646 T649 F749L549-Y551 VanDerWaalsContact C-N 3.3Å; L549-Y551 HydrophobicContact CB-CD1 3.96Å; L549-Y551 HydrophobicContact CB-CE1 3.97Å; L549-Y551 HydrophobicContact CD1-CD1 4.19Å; L549-Y551 HydrophobicContact CD1-CE1 3.36Å; L549-Y551 HydrophobicContact CG-CE1 4.27Å; L549-Y551 PolarHBondContact O-N 2.56Å; Y551-R553 PolarHBondContact O-N 2.74Å; Y551-P645 HydrophobicContact CD2-CB 4.26Å; Y551-P645 CarbonylContact O-C 3.43Å; Y551-P645 VanDerWaalsContact O-CA 3.23Å; Y551-P645 WeakPolarHBondContact O-CA 3.44Å; Y551-C646 PolarHBondContact O-N 3.44Å; Y551-T649 WeakPolarHBondContact CD2-OG1 3.28Å; Y551-F749 VanDerWaalsContact CB-CD1 3.41Å
552K97.1Very high97.7Very high21 Ų2112.9 Ų12.99%0.0916%0.056CC..G310 helixtrans-78.8-6.1174.6-69.3178.2-179.3-68.40111.9H544 K546 R547 L549 E550 P554 E650H544-K552 PolarHBondContact CE1-O 3.32Å; K546-K552 HydrophobicContact CB-CD 4.38Å; K546-K552 HydrophobicContact CD-CB 4.08Å; K546-K552 HydrophobicContact CD-CD 3.75Å; K546-K552 HydrophobicContact CD-CG 4.17Å; K546-K552 HydrophobicContact CG-CD 3.88Å; R547-K552 VanDerWaalsContact O-CD 3.25Å; R547-K552 WeakPolarHBondContact O-CD 3.32Å; L549-K552 HydrophobicContact CB-CD 4.24Å; L549-K552 HydrophobicContact CB-CG 4.3Å; L549-K552 HydrophobicContact CD1-CD 4.22Å; L549-K552 HydrophobicContact CG-CD 4.49Å; L549-K552 PolarHBondContact O-N 3.04Å; L549-K552 VanDerWaalsContact O-N 3.08Å; E550-K552 PolarHBondContact O-N 3.29Å; K552-P554 VanDerWaalsContact C-CD 3.44Å; K552-E650 IonicContact NZ-OE1 3.44Å; K552-E650 PolarHBondContact NZ-OE1 3.39Å; K552-E650 IonicContact NZ-OE2 3.32Å; K552-E650 PolarHBondContact NZ-OE2 2.94Å
553R98.2Very high97.7Very high1 Ų112.9 Ų12.90%0.0046%0.056CC..  trans50.548.5172.8-56.6-174.9-61.6-1803.2115.5E550 Y551 L555 L556 P557 I644 P645 F749 V751 D754E550-R553 WeakPolarHBondContact O-CA 3.44Å; E550-R553 PolarHBondContact O-N 2.73Å; Y551-R553 PolarHBondContact O-N 2.74Å; R553-L555 PolarHBondContact O-N 2.85Å; R553-L556 HydrophobicContact CB-CD1 3.91Å; R553-L556 HydrophobicContact CB-CG 4.13Å; R553-L556 PolarHBondContact O-N 2.79Å; R553-P557 WeakPolarHBondContact O-CD 3.37Å; R553-I644 PolarHBondContact NE-O 2.95Å; R553-I644 PolarHBondContact NH2-O 3.14Å; R553-I644 WeakPolarHBondContact O-CD1 3.43Å; R553-P645 PolarHBondContact NH2-O 2.93Å; R553-F749 VanDerWaalsContact CD-O 3.28Å; R553-F749 WeakPolarHBondContact CD-O 3.48Å; R553-F749 HydrophobicContact CG-CB 4.36Å; R553-V751 HydrophobicContact CB-CG2 4.46Å; R553-V751 HydrophobicContact CG-CG2 4.04Å; R553-D754 IonicContact CZ-OD2 2.82Å; R553-D754 IonicContact NH1-OD2 2.95Å; R553-D754 PolarHBondContact NH1-OD2 2.82Å; R553-D754 IonicContact NH2-OD2 3.29Å
554P98.5Very high97.7Very high1 Ų113.2 Ų13.21%0.0066%0.057CC..THydrogen-bonded Turntrans-60.1-14.6170.726.8-34.7000113.2V548 L549 K552 L556 P557 C558 I583 I597 I601V548-P554 HydrophobicContact CG1-CG 4.14Å; L549-P554 WeakPolarHBondContact O-CD 3.29Å; K552-P554 VanDerWaalsContact C-CD 3.44Å; P554-L556 VanDerWaalsContact C-N 3.33Å; P554-P557 WeakPolarHBondContact O-CD 3.32Å; P554-P557 WeakPolarHBondContact O-CG 3.45Å; P554-C558 PolarHBondContact O-N 2.89Å; P554-I583 HydrophobicContact CB-CG2 4.27Å; P554-I597 HydrophobicContact CB-CG2 4.43Å; P554-I597 HydrophobicContact CG-CG2 3.92Å; P554-I601 HydrophobicContact CB-CD1 4.39Å
555L98.4Very high97.7Very high13 Ų1313.2 Ų13.27%0.0686%0.057CC..Hα-helixtrans-65.6-30170.7-72.6169.9000113.5R553 C558 L559 I597 L600 L739 L743 V751R553-L555 PolarHBondContact O-N 2.85Å; L555-C558 WeakPolarHBondContact O-CB 3.48Å; L555-C558 PolarHBondContact O-N 2.89Å; L555-L559 WeakPolarHBondContact O-CB 3.39Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 3.37Å; L555-L559 PolarHBondContact O-N 3.36Å; L555-I597 HydrophobicContact CD1-CD1 4.06Å; L555-I597 HydrophobicContact CD1-CG1 4.18Å; L555-I597 HydrophobicContact CD2-CG1 4.08Å; L555-I597 HydrophobicContact CD2-CG2 4.03Å; L555-I597 HydrophobicContact CG-CD1 4.17Å; L555-I597 HydrophobicContact CG-CG1 4.08Å; L555-I597 HydrophobicContact CG-CG2 4.15Å; L555-L600 HydrophobicContact CD2-CD2 3.82Å; L555-L739 HydrophobicContact CD1-CD1 3.95Å; L555-L739 HydrophobicContact CD2-CD2 4.21Å; L555-L743 HydrophobicContact CD1-CD1 4.37Å; L555-L743 HydrophobicContact CD1-CD2 4.19Å; L555-V751 HydrophobicContact CB-CG1 4.35Å
556L98.7Very high97.7Very high0 Ų014 Ų140%06%0.061CC..Hα-helixtrans-62-53.8178.5-79.3174.5000112.5R553 P554 C558 L559 Y560 I644 F689 V751 Y758R553-L556 HydrophobicContact CB-CD1 3.91Å; R553-L556 HydrophobicContact CB-CG 4.13Å; R553-L556 PolarHBondContact O-N 2.79Å; P554-L556 VanDerWaalsContact C-N 3.33Å; L556-C558 PolarHBondContact O-N 3.01Å; L556-L559 PolarHBondContact O-N 3.39Å; L556-Y560 PolarHBondContact O-N 3.49Å; L556-I644 HydrophobicContact CB-CD1 3.79Å; L556-I644 HydrophobicContact CD1-CD1 4.14Å; L556-F689 HydrophobicContact CD1-CE2 4.35Å; L556-F689 HydrophobicContact CD1-CZ 4.35Å; L556-V751 HydrophobicContact CD2-CG1 3.92Å; L556-V751 HydrophobicContact CG-CG1 4.2Å; L556-Y758 HydrophobicContact CB-CD1 4.06Å; L556-Y758 HydrophobicContact CB-CE1 3.86Å; L556-Y758 HydrophobicContact CD2-CD1 4.06Å; L556-Y758 HydrophobicContact CD2-CG 4.45Å; L556-Y758 WeakPolarHBondContact O-CE1 3.49Å
557P98.7Very high97.8Very high0 Ų017 Ų170%07%0.072CC..Hα-helixtrans-65.4-27.7175.922.6-32.5000112.3H544 R553 P554 A561 I581 I583 I644 Y758H544-P557 HydrophobicContact CB-CG 4.27Å; R553-P557 WeakPolarHBondContact O-CD 3.37Å; P554-P557 WeakPolarHBondContact O-CD 3.32Å; P554-P557 WeakPolarHBondContact O-CG 3.45Å; P557-A561 PolarHBondContact O-N 3.48Å; P557-I581 HydrophobicContact CB-CG2 4.3Å; P557-I583 HydrophobicContact CB-CD1 4.16Å; P557-I583 HydrophobicContact CG-CD1 3.95Å; P557-I583 HydrophobicContact CG-CG1 4.37Å; P557-I644 VanDerWaalsContact CD-CD1 3.47Å; P557-I644 HydrophobicContact CG-CD1 4.24Å; P557-Y758 WeakPolarHBondContact CA-OH 3.3Å
558C98.8Very high97.9Very high1 Ų113 Ų131%0.0076%0.057CC..Hα-helixtrans-66.3-46.3171.8-172.50000112P554 L555 L556 Y560 A561 I562 I583 I601P554-C558 PolarHBondContact O-N 2.89Å; L555-C558 WeakPolarHBondContact O-CB 3.48Å; L555-C558 PolarHBondContact O-N 2.89Å; L556-C558 PolarHBondContact O-N 3.01Å; C558-Y560 VanDerWaalsContact C-N 3.33Å; C558-Y560 PolarHBondContact O-N 2.97Å; C558-A561 WeakPolarHBondContact O-CB 3.37Å; C558-A561 PolarHBondContact O-N 2.75Å; C558-I562 WeakPolarHBondContact O-CG1 3.28Å; C558-I562 PolarHBondContact O-N 3.2Å; C558-I583 HydrophobicContact CB-CD1 4.38Å; C558-I601 HydrophobicContact CB-CG1 4.09Å
559L98.8Very high97.9Very high3 Ų316.9 Ų16.92%0.0167%0.073CC..Hα-helixtrans-63.4-39.5174.7-72.4171.7000111L555 L556 A561 I562 T563 L716 C719 L720 I723 V751 Y755L555-L559 WeakPolarHBondContact O-CB 3.39Å; L555-L559 VanDerWaalsContact O-CG 3.25Å; L555-L559 WeakPolarHBondContact O-CG 3.37Å; L555-L559 PolarHBondContact O-N 3.36Å; L556-L559 PolarHBondContact O-N 3.39Å; L559-A561 VanDerWaalsContact C-N 3.34Å; L559-A561 PolarHBondContact O-N 2.81Å; L559-I562 HydrophobicContact CD2-CD1 4.43Å; L559-I562 PolarHBondContact O-N 3.1Å; L559-T563 PolarHBondContact O-N 2.84Å; L559-T563 PolarHBondContact O-OG1 3.12Å; L559-L716 HydrophobicContact CD1-CD1 4.24Å; L559-C719 HydrophobicContact CD2-CB 3.81Å; L559-L720 HydrophobicContact CD2-CD2 4.27Å; L559-I723 HydrophobicContact CD2-CD1 4.03Å; L559-V751 HydrophobicContact CD1-CG1 3.72Å; L559-Y755 HydrophobicContact CB-CD2 4.25Å; L559-Y755 HydrophobicContact CB-CE2 4.04Å; L559-Y755 HydrophobicContact CD1-CD2 4.3Å
560Y98.8Very high98.1Very high6 Ų620 Ų202%0.02410%0.102CC..Hα-helixtrans-58.8-45.2172.3171.9-92.1000111.6L556 C558 I562 T563 M564 R579 I581 M759 Q762L556-Y560 PolarHBondContact O-N 3.49Å; C558-Y560 VanDerWaalsContact C-N 3.33Å; C558-Y560 PolarHBondContact O-N 2.97Å; Y560-I562 VanDerWaalsContact C-N 3.32Å; Y560-I562 PolarHBondContact O-N 2.95Å; Y560-T563 PolarHBondContact O-N 2.89Å; Y560-M564 HydrophobicContact CD1-CG 4.23Å; Y560-M564 HydrophobicContact CD2-CG 4.26Å; Y560-M564 HydrophobicContact CE1-CG 3.7Å; Y560-M564 HydrophobicContact CE2-CG 3.74Å; Y560-M564 HydrophobicContact CE2-SD 3.98Å; Y560-M564 HydrophobicContact CG-CG 4.46Å; Y560-M564 WeakPolarHBondContact O-CG 3.24Å; Y560-M564 PolarHBondContact O-N 3.13Å; Y560-R579 PolarHBondContact OH-NH1 2.83Å; Y560-I581 HydrophobicContact CD1-CD1 3.64Å; Y560-I581 HydrophobicContact CE1-CD1 3.86Å; Y560-M759 HydrophobicContact CD2-CE 3.67Å; Y560-M759 HydrophobicContact CD2-SD 3.65Å; Y560-M759 HydrophobicContact CE2-CE 4.04Å; Y560-M759 HydrophobicContact CG-SD 4.44Å; Y560-Q762 HydrophobicContact CD2-CB 3.96Å; Y560-Q762 HydrophobicContact CD2-CG 3.84Å; Y560-Q762 HydrophobicContact CE2-CB 3.64Å; Y560-Q762 HydrophobicContact CE2-CG 3.94Å; Y560-Q762 HydrophobicContact CG-CG 4.47Å
561A98.7Very high98.1Very high0 Ų022.7 Ų22.70%012%0.118CC..Hα-helixtrans-59-43.4175.700000111.9P557 C558 L559 M564 Y565 I581 I608 L620P557-A561 PolarHBondContact O-N 3.48Å; C558-A561 WeakPolarHBondContact O-CB 3.37Å; C558-A561 PolarHBondContact O-N 2.75Å; L559-A561 VanDerWaalsContact C-N 3.34Å; L559-A561 PolarHBondContact O-N 2.81Å; A561-M564 PolarHBondContact O-N 2.91Å; A561-Y565 WeakPolarHBondContact O-CB 3.36Å; A561-Y565 PolarHBondContact O-N 3.42Å; A561-I581 HydrophobicContact CB-CD1 3.6Å; A561-I608 HydrophobicContact CB-CD1 4.05Å; A561-L620 HydrophobicContact CB-CD2 3.99Å
562I98.8Very high98.1Very high0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-62.3-46176.1-66.2168.3000111C558 L559 Y560 M564 Y565 N566 V604 C719 I723 Y728C558-I562 WeakPolarHBondContact O-CG1 3.28Å; C558-I562 PolarHBondContact O-N 3.2Å; L559-I562 HydrophobicContact CD2-CD1 4.43Å; L559-I562 PolarHBondContact O-N 3.1Å; Y560-I562 VanDerWaalsContact C-N 3.32Å; Y560-I562 PolarHBondContact O-N 2.95Å; I562-M564 PolarHBondContact O-N 3.27Å; I562-Y565 WeakPolarHBondContact O-CB 3.47Å; I562-Y565 PolarHBondContact O-N 3.12Å; I562-N566 WeakPolarHBondContact O-CB 3.49Å; I562-N566 VanDerWaalsContact O-CG 3.29Å; I562-N566 PolarHBondContact O-N 2.76Å; I562-N566 PolarHBondContact O-ND2 2.79Å; I562-V604 HydrophobicContact CD1-CG2 3.93Å; I562-V604 HydrophobicContact CG1-CG1 3.76Å; I562-V604 HydrophobicContact CG1-CG2 4.05Å; I562-C719 HydrophobicContact CB-CB 4.46Å; I562-C719 HydrophobicContact CG2-CB 3.81Å; I562-C719 VanDerWaalsContact CG2-SG 3.51Å; I562-I723 HydrophobicContact CD1-CD1 4.01Å; I562-I723 HydrophobicContact CD1-CG1 4.23Å; I562-Y728 HydrophobicContact CD1-CE2 3.88Å; I562-Y728 HydrophobicContact CG1-CE1 4.47Å; I562-Y728 HydrophobicContact CG1-CE2 4.29Å; I562-Y728 WeakPolarHBondContact CG1-OH 3.22Å; I562-Y728 WeakPolarHBondContact CG2-OH 3.38Å
563T98.7Very high98Very high2 Ų229.5 Ų29.51%0.01216%0.156CC..Hα-helixtrans-61.9-45179.5-57.70000111.4L559 Y560 Y565 N566 R567 E715 C719 Y755 M759L559-T563 PolarHBondContact O-N 2.84Å; L559-T563 PolarHBondContact O-OG1 3.12Å; Y560-T563 PolarHBondContact O-N 2.89Å; T563-Y565 VanDerWaalsContact C-N 3.34Å; T563-Y565 PolarHBondContact O-N 3.38Å; T563-N566 PolarHBondContact O-N 3.49Å; T563-R567 WeakPolarHBondContact O-CG 3.27Å; T563-R567 PolarHBondContact O-N 2.78Å; T563-E715 HydrophobicContact CG2-CB 4.29Å; T563-C719 PolarHBondContact OG1-SG 3.33Å; T563-Y755 WeakPolarHBondContact CG2-OH 3.48Å; T563-Y755 PolarHBondContact OG1-OH 3.27Å; T563-M759 HydrophobicContact CG2-CE 3.69Å
564M98.4Very high97.8Very high6 Ų631.2 Ų31.23%0.0317%0.165CC..Hα-helixtrans-65.3-38.5176.7-66.7-51.2-64.300112Y560 A561 I562 R567 L568 M574 M576 L618Y560-M564 HydrophobicContact CD1-CG 4.23Å; Y560-M564 HydrophobicContact CD2-CG 4.26Å; Y560-M564 HydrophobicContact CE1-CG 3.7Å; Y560-M564 HydrophobicContact CE2-CG 3.74Å; Y560-M564 HydrophobicContact CE2-SD 3.98Å; Y560-M564 HydrophobicContact CG-CG 4.46Å; Y560-M564 WeakPolarHBondContact O-CG 3.24Å; Y560-M564 PolarHBondContact O-N 3.13Å; A561-M564 PolarHBondContact O-N 2.91Å; I562-M564 PolarHBondContact O-N 3.27Å; M564-R567 PolarHBondContact O-N 3.01Å; M564-L568 WeakPolarHBondContact O-CB 3.46Å; M564-L568 WeakPolarHBondContact O-CG 3.39Å; M564-L568 PolarHBondContact O-N 3.47Å; M564-M574 HydrophobicContact CE-CE 3.78Å; M564-M576 HydrophobicContact CE-CE 3.85Å; M564-M576 HydrophobicContact CE-SD 4.02Å; M564-L618 HydrophobicContact CB-CD1 4.45Å; M564-L618 HydrophobicContact CB-CD2 3.9Å
565Y98.5Very high97.5Very high6 Ų640.6 Ų40.62%0.02421%0.206CC..Hα-helixtrans-59.4-49.3171.9176.5-108.9000111.3A561 I562 T563 R567 L568 K569 I607 I608 D611 T614 Y727A561-Y565 WeakPolarHBondContact O-CB 3.36Å; A561-Y565 PolarHBondContact O-N 3.42Å; I562-Y565 WeakPolarHBondContact O-CB 3.47Å; I562-Y565 PolarHBondContact O-N 3.12Å; T563-Y565 VanDerWaalsContact C-N 3.34Å; T563-Y565 PolarHBondContact O-N 3.38Å; Y565-R567 VanDerWaalsContact C-N 3.35Å; Y565-R567 PolarHBondContact O-N 2.9Å; Y565-L568 WeakPolarHBondContact O-CB 3.37Å; Y565-L568 PolarHBondContact O-N 2.95Å; Y565-L568 VanDerWaalsContact O-N 3.16Å; Y565-K569 HydrophobicContact CD1-CG 4.34Å; Y565-K569 HydrophobicContact CD2-CG 4.36Å; Y565-K569 HydrophobicContact CE1-CD 4.45Å; Y565-K569 HydrophobicContact CE1-CG 3.92Å; Y565-K569 HydrophobicContact CE2-CD 3.89Å; Y565-K569 HydrophobicContact CE2-CG 3.95Å; Y565-K569 WeakPolarHBondContact O-CG 3.37Å; Y565-K569 PolarHBondContact O-N 3.01Å; Y565-I607 HydrophobicContact CE1-CG2 4.21Å; Y565-I608 HydrophobicContact CD2-CG1 4.09Å; Y565-I608 HydrophobicContact CG-CG1 4.24Å; Y565-D611 HydrophobicContact CE2-CB 3.92Å; Y565-D611 WeakPolarHBondContact CE2-OD2 3.15Å; Y565-D611 PolarHBondContact OH-OD2 3.08Å; Y565-T614 HydrophobicContact CD2-CG2 3.6Å; Y565-T614 HydrophobicContact CE2-CG2 3.84Å; Y565-Y727 HydrophobicContact CE1-CE1 4.08Å; Y565-Y727 PolarHBondContact OH-OH 3.34Å
566N98.4Very high97.3Very high23 Ų2341.1 Ų41.112%0.12321%0.208CC..Hα-helixtrans-61.2-41.6178.8-71.4-24.6000112.3I562 T563 K569 A570 L718 Q722I562-N566 WeakPolarHBondContact O-CB 3.49Å; I562-N566 VanDerWaalsContact O-CG 3.29Å; I562-N566 PolarHBondContact O-N 2.76Å; I562-N566 PolarHBondContact O-ND2 2.79Å; T563-N566 PolarHBondContact O-N 3.49Å; N566-K569 PolarHBondContact O-N 3.3Å; N566-A570 WeakPolarHBondContact O-CB 3.47Å; N566-A570 PolarHBondContact O-N 3.02Å; N566-L718 HydrophobicContact CB-CD2 4.18Å; N566-Q722 PolarHBondContact ND2-OE1 2.95Å; N566-Q722 PolarHBondContact OD1-NE2 3.22Å; N566-Q722 PolarHBondContact OD1-OE1 2.9Å
567R98.1Very high97.2Very high89 Ų8942 Ų4234%0.33621%0.214SC..Hα-helixtrans-61.9-42.7174.4-72.5176179.5-177.60.1112.1T563 M564 Y565 A570 N571 M574 E715T563-R567 WeakPolarHBondContact O-CG 3.27Å; T563-R567 PolarHBondContact O-N 2.78Å; M564-R567 PolarHBondContact O-N 3.01Å; Y565-R567 VanDerWaalsContact C-N 3.35Å; Y565-R567 PolarHBondContact O-N 2.9Å; R567-A570 PolarHBondContact O-N 2.83Å; R567-N571 PolarHBondContact O-N 3.44Å; R567-M574 HydrophobicContact CB-CE 4.03Å; R567-M574 HydrophobicContact CB-SD 3.89Å; R567-E715 IonicContact CZ-OE1 3.16Å; R567-E715 VanDerWaalsContact CZ-OE1 3.31Å; R567-E715 IonicContact CZ-OE2 3.49Å; R567-E715 IonicContact NE-OE1 2.76Å; R567-E715 PolarHBondContact NE-OE1 3.31Å; R567-E715 IonicContact NE-OE2 3.53Å; R567-E715 VanDerWaalsContact NH2-CD 3.31Å; R567-E715 IonicContact NH2-OE1 3.85Å; R567-E715 PolarHBondContact NH2-OE1 3.31Å; R567-E715 IonicContact NH2-OE2 2.79Å; R567-E715 PolarHBondContact NH2-OE2 3.46Å
568L97.7Very high97.1Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-64.6-38174.9-78169.8000112.4M564 Y565 N571 P572 M574 M576 I613 K617 L618M564-L568 WeakPolarHBondContact O-CB 3.46Å; M564-L568 WeakPolarHBondContact O-CG 3.39Å; M564-L568 PolarHBondContact O-N 3.47Å; Y565-L568 WeakPolarHBondContact O-CB 3.37Å; Y565-L568 PolarHBondContact O-N 2.95Å; Y565-L568 VanDerWaalsContact O-N 3.16Å; L568-N571 CarbonylContact O-C 3.09Å; L568-N571 PolarHBondContact O-N 3.27Å; L568-P572 VanDerWaalsContact O-CA 3.24Å; L568-P572 WeakPolarHBondContact O-CA 3.45Å; L568-M574 HydrophobicContact CD2-CE 3.78Å; L568-M574 HydrophobicContact CG-CE 3.81Å; L568-M576 HydrophobicContact CD1-SD 3.86Å; L568-M576 HydrophobicContact CD2-SD 3.91Å; L568-M576 HydrophobicContact CG-SD 4.05Å; L568-I613 HydrophobicContact CB-CG2 4.14Å; L568-K617 HydrophobicContact CD1-CB 4.39Å; L568-K617 HydrophobicContact CD2-CD 3.79Å; L568-L618 HydrophobicContact CD1-CB 3.99Å; L568-L618 HydrophobicContact CD1-CD2 4.32Å
569K97.3Very high97.1Very high86 Ų8644.5 Ų44.537%0.37423%0.23SC..Hα-helixtrans-66.5-38.8175-66.7-62.1-70.9-167.20112.3Y565 N566 D611 I613Y565-K569 HydrophobicContact CD1-CG 4.34Å; Y565-K569 HydrophobicContact CD2-CG 4.36Å; Y565-K569 HydrophobicContact CE1-CD 4.45Å; Y565-K569 HydrophobicContact CE1-CG 3.92Å; Y565-K569 HydrophobicContact CE2-CD 3.89Å; Y565-K569 HydrophobicContact CE2-CG 3.95Å; Y565-K569 WeakPolarHBondContact O-CG 3.37Å; Y565-K569 PolarHBondContact O-N 3.01Å; N566-K569 PolarHBondContact O-N 3.3Å; K569-D611 VanDerWaalsContact CD-OD2 3.3Å; K569-D611 WeakPolarHBondContact CD-OD2 3.38Å; K569-D611 WeakPolarHBondContact CE-OD2 3.43Å; K569-D611 IonicContact NZ-OD1 3.36Å; K569-D611 IonicContact NZ-OD2 3.75Å; K569-D611 PolarHBondContact NZ-OD2 2.78Å; K569-I613 HydrophobicContact CD-CD1 3.92Å
570A97.5Very high97.1Very high89 Ų8944.5 Ų44.574%0.73623%0.23SC*.Hα-helixtrans-71.9-34.2177.100000112.4N566 R567N566-A570 WeakPolarHBondContact O-CB 3.47Å; N566-A570 PolarHBondContact O-N 3.02Å; R567-A570 PolarHBondContact O-N 2.83Å
571N97.4Very high97.1Very high83 Ų8344.3 Ų44.344%0.44423%0.229SC..  trans-140.489.3177.6-178.58000111R567 L568 E573 M574R567-N571 PolarHBondContact O-N 3.44Å; L568-N571 CarbonylContact O-C 3.09Å; L568-N571 PolarHBondContact O-N 3.27Å; N571-E573 PolarHBondContact O-N 2.94Å; N571-E573 VanDerWaalsContact O-N 3.15Å; N571-E573 PolarHBondContact OD1-N 3.17Å; N571-M574 HydrophobicContact CB-CB 4.33Å; N571-M574 WeakPolarHBondContact O-CB 3.47Å; N571-M574 PolarHBondContact O-N 3.48Å; N571-M574 PolarHBondContact OD1-N 2.97Å
572P95.4Very high97.1Very high54 Ų5444.3 Ų44.335%0.35123%0.229SC..THydrogen-bonded Turntrans-59-26.7-179.5-28.336.8000114.3L568 M574 I613 K617L568-P572 VanDerWaalsContact O-CA 3.24Å; L568-P572 WeakPolarHBondContact O-CA 3.45Å; P572-M574 VanDerWaalsContact C-N 3.3Å; P572-M574 PolarHBondContact O-N 2.9Å; P572-I613 HydrophobicContact CB-CG2 4.18Å; P572-I613 HydrophobicContact CG-CD1 4.41Å; P572-K617 PolarHBondContact O-NZ 3.05Å
573E94.3Very high97.1Very high157 Ų15744.4 Ų44.473%0.73423%0.229SC*.THydrogen-bonded Turntrans-87.15.5178.9-62.8-56.2141.900113.3N571 K575N571-E573 PolarHBondContact O-N 2.94Å; N571-E573 VanDerWaalsContact O-N 3.15Å; N571-E573 PolarHBondContact OD1-N 3.17Å; E573-K575 PolarHBondContact O-N 3.49Å; E573-K575 VanDerWaalsContact O-N 3.16Å
574M94.6Very high97.1Very high37 Ų3744.3 Ų44.318%0.18223%0.229CC..  trans-54.3123.8177-178.6-179.171.700110.6M564 R567 L568 N571 P572 M576M564-M574 HydrophobicContact CE-CE 3.78Å; R567-M574 HydrophobicContact CB-CE 4.03Å; R567-M574 HydrophobicContact CB-SD 3.89Å; L568-M574 HydrophobicContact CD2-CE 3.78Å; L568-M574 HydrophobicContact CG-CE 3.81Å; N571-M574 HydrophobicContact CB-CB 4.33Å; N571-M574 WeakPolarHBondContact O-CB 3.47Å; N571-M574 PolarHBondContact O-N 3.48Å; N571-M574 PolarHBondContact OD1-N 2.97Å; P572-M574 VanDerWaalsContact C-N 3.3Å; P572-M574 PolarHBondContact O-N 2.9Å; M574-M576 HydrophobicContact CE-CB 4.25Å; M574-M576 HydrophobicContact CE-CG 4.34Å; M574-M576 HydrophobicContact CE-SD 3.81Å; M574-M576 PolarHBondContact O-N 3.12Å
575K92.3Very high97Very high198 Ų19844 Ų4486%0.86123%0.228SC*.  trans-76117.4171.4-67.4-173.4179.4-178.40109.1E573E573-K575 PolarHBondContact O-N 3.49Å; E573-K575 VanDerWaalsContact O-N 3.16Å
576M94.5Very high96.9Very high24 Ų2444.5 Ų44.512%0.11823%0.23CC..  trans-138.4155.8172.964.1176.9-73.800110.3M564 L568 M574 P578 K617 E766M564-M576 HydrophobicContact CE-CE 3.85Å; M564-M576 HydrophobicContact CE-SD 4.02Å; L568-M576 HydrophobicContact CD1-SD 3.86Å; L568-M576 HydrophobicContact CD2-SD 3.91Å; L568-M576 HydrophobicContact CG-SD 4.05Å; M574-M576 HydrophobicContact CE-CB 4.25Å; M574-M576 HydrophobicContact CE-CG 4.34Å; M574-M576 HydrophobicContact CE-SD 3.81Å; M574-M576 PolarHBondContact O-N 3.12Å; M576-P578 WeakPolarHBondContact O-CD 3.45Å; M576-K617 HydrophobicContact CG-CB 4.47Å; M576-K617 HydrophobicContact SD-CB 4.16Å; M576-E766 WeakPolarHBondContact CA-OE1 3.29Å
577C95.2Very high96.8Very high18 Ų1843.4 Ų43.412%0.12222%0.224CC..  trans-64.3128.7163.9-75.90000109.8R579 E766 K770C577-R579 PolarHBondContact O-N 3.47Å; C577-E766 HydrophobicContact CB-CG 3.91Å; C577-E766 PolarHBondContact N-OE1 2.73Å; C577-K770 WeakPolarHBondContact SG-CE 3.48Å; C577-K770 WeakPolarHBondContact SG-CG 3.3Å
578P97.8Very high96.4Very high50 Ų5041.2 Ų41.233%0.32523%0.225SC..  trans-52.9130.8169.4-29.137.8000110.7S539 L540 M576 G616 K617S539-P578 CarbonylContact C-O 3.34Å; S539-P578 VanDerWaalsContact CA-O 3.3Å; S539-P578 WeakPolarHBondContact CA-O 3.38Å; S539-P578 WeakPolarHBondContact CB-O 3.27Å; L540-P578 PolarHBondContact N-O 3.05Å; M576-P578 WeakPolarHBondContact O-CD 3.45Å; P578-G616 WeakPolarHBondContact CB-O 3.17Å; P578-K617 CarbonylContact C-O 3.12Å; P578-K617 VanDerWaalsContact CA-O 3.29Å; P578-K617 WeakPolarHBondContact CA-O 3.43Å
579R98.4Very high96.1Very high4 Ų443.2 Ų43.22%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-135.4131.5-175.4-172.5167.8-88.8-164.7-15.6111.7L540 D542 Y560 C577 I581 K617 L618 K619L540-R579 HydrophobicContact CD2-CG 4.3Å; D542-R579 HydrophobicContact CB-CG 4.18Å; D542-R579 IonicContact OD2-CZ 3.31Å; D542-R579 IonicContact OD2-NE 3.21Å; D542-R579 IonicContact OD2-NH1 3.07Å; Y560-R579 PolarHBondContact OH-NH1 2.83Å; C577-R579 PolarHBondContact O-N 3.47Å; R579-I581 HydrophobicContact CG-CG1 4.11Å; R579-K617 PolarHBondContact N-O 2.68Å; R579-L618 WeakPolarHBondContact O-CA 3.45Å; R579-K619 PolarHBondContact O-N 2.72Å
580T98.7Very high95.6Very high3 Ų341.8 Ų41.82%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-110.5108171-62.80000108.3L535 S539 L540 F541 D542 I582 K619L535-T580 HydrophobicContact CD2-CG2 3.94Å; S539-T580 WeakPolarHBondContact OG-CB 3.4Å; S539-T580 PolarHBondContact OG-OG1 2.81Å; L540-T580 PolarHBondContact O-N 2.78Å; F541-T580 HydrophobicContact CD1-CG2 4.39Å; F541-T580 HydrophobicContact CE1-CG2 4.3Å; D542-T580 PolarHBondContact N-O 2.78Å; T580-I582 HydrophobicContact CG2-CD1 4.12Å; T580-I582 HydrophobicContact CG2-CG1 3.82Å; T580-K619 CarbonylContact C-O 3.52Å; T580-K619 WeakPolarHBondContact CA-O 3.25Å; T580-K619 HydrophobicContact CG2-CB 4.46Å
581I98.9Very high95.3Very high2 Ų241 Ų411%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-88.4121.7176.9-53.8166.8000108.2D542 P557 Y560 A561 R579 I583 L618 K619 L620 I621D542-I581 HydrophobicContact CB-CG1 4.42Å; D542-I581 CarbonylContact O-C 3.5Å; D542-I581 WeakPolarHBondContact O-CA 3.45Å; P557-I581 HydrophobicContact CB-CG2 4.3Å; Y560-I581 HydrophobicContact CD1-CD1 3.64Å; Y560-I581 HydrophobicContact CE1-CD1 3.86Å; A561-I581 HydrophobicContact CB-CD1 3.6Å; R579-I581 HydrophobicContact CG-CG1 4.11Å; I581-I583 HydrophobicContact CG2-CG1 4.21Å; I581-L618 HydrophobicContact CD1-CD1 3.91Å; I581-K619 PolarHBondContact N-O 3.17Å; I581-L620 HydrophobicContact CB-CD1 3.8Å; I581-L620 HydrophobicContact CG2-CD1 3.64Å; I581-L620 CarbonylContact O-C 3.5Å; I581-L620 WeakPolarHBondContact O-CA 3.16Å; I581-I621 PolarHBondContact O-N 2.93Å
582I98.8Very high95.1Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-119.9103.3-175.2-52.6177.4000107.9F523 F541 D542 V543 H544 T580 I621 L623 I634F523-I582 HydrophobicContact CE1-CD1 4Å; F541-I582 HydrophobicContact CD2-CD1 4.26Å; F541-I582 HydrophobicContact CG-CD1 4.3Å; D542-I582 PolarHBondContact O-N 3.49Å; V543-I582 WeakPolarHBondContact CA-O 3.34Å; V543-I582 HydrophobicContact CG1-CB 4.49Å; V543-I582 HydrophobicContact CG2-CB 4.12Å; V543-I582 HydrophobicContact CG2-CD1 4.12Å; V543-I582 HydrophobicContact CG2-CG1 4.42Å; H544-I582 PolarHBondContact N-O 2.84Å; T580-I582 HydrophobicContact CG2-CD1 4.12Å; T580-I582 HydrophobicContact CG2-CG1 3.82Å; I582-I621 HydrophobicContact CB-CD1 4.39Å; I582-I621 HydrophobicContact CB-CG1 4.11Å; I582-I621 HydrophobicContact CD1-CD1 4.3Å; I582-I621 HydrophobicContact CG1-CD1 3.88Å; I582-I621 HydrophobicContact CG1-CG1 3.85Å; I582-I621 HydrophobicContact CG2-CD1 4Å; I582-I621 HydrophobicContact CG2-CG1 3.98Å; I582-L623 HydrophobicContact CG2-CB 4.08Å; I582-L623 HydrophobicContact CG2-CD2 4.42Å; I582-I634 HydrophobicContact CD1-CD1 3.71Å; I582-I634 HydrophobicContact CG2-CD1 4.38Å
583I98.8Very high95.1Very high1 Ų140.8 Ų40.81%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-101.3136.3173.6-53.7177000108.1H544 P554 P557 C558 I581 I601 L620 I621 F622 L623H544-I583 HydrophobicContact CB-CG1 4.35Å; H544-I583 HydrophobicContact CB-CG2 4.47Å; H544-I583 CarbonylContact O-C 3.25Å; H544-I583 WeakPolarHBondContact O-CA 3.32Å; P554-I583 HydrophobicContact CB-CG2 4.27Å; P557-I583 HydrophobicContact CB-CD1 4.16Å; P557-I583 HydrophobicContact CG-CD1 3.95Å; P557-I583 HydrophobicContact CG-CG1 4.37Å; C558-I583 HydrophobicContact CB-CD1 4.38Å; I581-I583 HydrophobicContact CG2-CG1 4.21Å; I583-I601 HydrophobicContact CB-CD1 4.48Å; I583-I601 HydrophobicContact CB-CG2 4.33Å; I583-I601 HydrophobicContact CD1-CD1 4.05Å; I583-I601 HydrophobicContact CD1-CG1 4.13Å; I583-I601 HydrophobicContact CD1-CG2 4.05Å; I583-I601 HydrophobicContact CG2-CD1 3.86Å; I583-L620 HydrophobicContact CD1-CD1 4.02Å; I583-L620 HydrophobicContact CG1-CD1 4.22Å; I583-I621 PolarHBondContact N-O 3.3Å; I583-F622 HydrophobicContact CB-CD2 4.45Å; I583-F622 HydrophobicContact CG2-CD2 4.38Å; I583-F622 HydrophobicContact CG2-CE2 4.31Å; I583-F622 CarbonylContact O-C 3.47Å; I583-F622 WeakPolarHBondContact O-CA 3.43Å; I583-L623 PolarHBondContact O-N 3.06Å
584G98.1Very high95.2Very high1 Ų133.3 Ų33.31%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-154153179.500000112.8H544 V545 K546H544-G584 PolarHBondContact O-N 3.15Å; V545-G584 VanDerWaalsContact CA-O 3.3Å; V545-G584 WeakPolarHBondContact CA-O 3.41Å; K546-G584 PolarHBondContact N-O 2.94Å
585G96.8Very high95.3Very high0 Ų033.4 Ų33.40%018%0.182CC..  trans154.9168.3-174.600000113.4Q150 K546 F622Q150-G585 PolarHBondContact NE2-O 3.49Å; Q150-G585 PolarHBondContact OE1-O 2.85Å; K546-G585 WeakPolarHBondContact O-CA 3.38Å; G585-F622 WeakPolarHBondContact O-CZ 3.25Å
586K96.2Very high95.6Very high15 Ų1524.3 Ų24.37%0.06514%0.143CC..  trans-109.4136.6173-62.6-174.8-177.9-174.20109.7F148 Q150 R547 V548 N625 Y626F148-K586 HydrophobicContact CD2-CD 4.43Å; F148-K586 HydrophobicContact CE2-CB 4.1Å; F148-K586 HydrophobicContact CE2-CD 3.86Å; F148-K586 HydrophobicContact CE2-CG 4.14Å; F148-K586 HydrophobicContact CZ-CB 3.8Å; F148-K586 HydrophobicContact CZ-CD 4.02Å; F148-K586 HydrophobicContact CZ-CG 4.28Å; F148-K586 PolarHBondContact O-NZ 3.39Å; Q150-K586 HydrophobicContact CB-CD 4.4Å; Q150-K586 HydrophobicContact CB-CG 4.18Å; Q150-K586 HydrophobicContact CG-CG 4.48Å; R547-K586 WeakPolarHBondContact CG-O 3.29Å; V548-K586 PolarHBondContact N-O 2.97Å; K586-N625 WeakPolarHBondContact CE-OD1 3.3Å; K586-N625 PolarHBondContact NZ-OD1 2.92Å; K586-Y626 WeakPolarHBondContact CE-O 3.38Å
587A95Very high95.7Very high1 Ų123.2 Ų23.21%0.00814%0.137CC..  trans-89.9144.2165.800000109.2F148 Q157 V548 A594 K595 I598F148-A587 VanDerWaalsContact CZ-O 3.23Å; F148-A587 WeakPolarHBondContact CZ-O 3.49Å; Q157-A587 PolarHBondContact NE2-O 3.33Å; V548-A587 HydrophobicContact CB-CB 4.33Å; A587-A594 HydrophobicContact CB-CB 3.62Å; A587-K595 HydrophobicContact CB-CG 3.89Å; A587-I598 HydrophobicContact CB-CD1 3.67Å
588A91.7Very high95.9Very high42 Ų4222.3 Ų22.335%0.34713%0.132SC..  trans-61.1143.4171.500000109.7G590 Y591A588-G590 VanDerWaalsContact C-N 3.27Å; A588-G590 PolarHBondContact O-N 3.3Å; A588-Y591 WeakPolarHBondContact O-CB 3.48Å; A588-Y591 PolarHBondContact O-N 3.12Å
589P89.5Confident95.9Very high43 Ų4320.5 Ų20.528%0.27912%0.119SC..THydrogen-bonded Turntrans-58.1-38.1-172.1-23.632.1000113.3F148 E159 I265 Y591F148-P589 HydrophobicContact CD1-CG 4.1Å; F148-P589 HydrophobicContact CE1-CG 3.94Å; E159-P589 HydrophobicContact CG-CB 4.25Å; E159-P589 HydrophobicContact CG-CG 4.17Å; I265-P589 HydrophobicContact CD1-CB 3.85Å; I265-P589 HydrophobicContact CG1-CB 4.05Å; I265-P589 HydrophobicContact CG1-CG 4.4Å; P589-Y591 VanDerWaalsContact C-N 3.32Å; P589-Y591 PolarHBondContact O-N 3.48Å
590G87.3Confident95.9Very high55 Ų5520.3 Ų20.357%0.56712%0.118SC*.THydrogen-bonded Turntrans-79.6-4.2177.100000115.3A588 H592A588-G590 VanDerWaalsContact C-N 3.27Å; A588-G590 PolarHBondContact O-N 3.3Å; G590-H592 PolarHBondContact O-N 3.25Å
591Y91Very high95.9Very high72 Ų7220.2 Ų20.228%0.28212%0.117SC..  trans-92.983.9-174.4-161.8-7.3000111.6L549 E550 A588 P589 M593 A594 K595L549-Y591 HydrophobicContact CD2-CD2 3.88Å; L549-Y591 HydrophobicContact CD2-CE2 3.63Å; E550-Y591 HydrophobicContact CG-CE1 4.5Å; E550-Y591 WeakPolarHBondContact CG-OH 3.44Å; E550-Y591 WeakPolarHBondContact OE2-CE1 3.35Å; E550-Y591 PolarHBondContact OE2-OH 2.8Å; A588-Y591 WeakPolarHBondContact O-CB 3.48Å; A588-Y591 PolarHBondContact O-N 3.12Å; P589-Y591 VanDerWaalsContact C-N 3.32Å; P589-Y591 PolarHBondContact O-N 3.48Å; Y591-M593 HydrophobicContact CD1-CB 4.23Å; Y591-M593 HydrophobicContact CE1-CB 3.88Å; Y591-M593 PolarHBondContact O-N 3.03Å; Y591-A594 HydrophobicContact CD1-CB 4.05Å; Y591-A594 HydrophobicContact CD2-CB 3.71Å; Y591-A594 HydrophobicContact CE2-CB 4.24Å; Y591-A594 HydrophobicContact CG-CB 3.62Å; Y591-A594 PolarHBondContact O-N 2.99Å; Y591-K595 PolarHBondContact O-N 2.88Å; Y591-K595 VanDerWaalsContact O-N 3.07Å
592H93.5Very high95.9Very high110 Ų11021.5 Ų21.551%0.50912%0.124SC..Hα-helixtrans-52-49.5-177.4-178.4-100.1000113.6G590 A594 K595 M596G590-H592 PolarHBondContact O-N 3.25Å; H592-A594 VanDerWaalsContact C-N 3.34Å; H592-A594 PolarHBondContact O-N 2.88Å; H592-K595 PolarHBondContact O-N 3.07Å; H592-K595 VanDerWaalsContact O-N 3.15Å; H592-M596 PolarHBondContact O-N 3.33Å
593M95.2Very high95.9Very high24 Ų2421.7 Ų21.712%0.11813%0.125CC..Hα-helixtrans-63.2-39.3-178.3-168.757.164.100112.4E550 Y591 K595 M596 I597 L739 K742E550-M593 VanDerWaalsContact CD-CG 3.45Å; E550-M593 HydrophobicContact CG-CB 4.48Å; E550-M593 HydrophobicContact CG-CG 3.95Å; E550-M593 WeakPolarHBondContact OE2-CB 3.32Å; E550-M593 WeakPolarHBondContact OE2-CG 3.5Å; Y591-M593 HydrophobicContact CD1-CB 4.23Å; Y591-M593 HydrophobicContact CE1-CB 3.88Å; Y591-M593 PolarHBondContact O-N 3.03Å; M593-K595 PolarHBondContact O-N 3.42Å; M593-M596 WeakPolarHBondContact O-CB 3.37Å; M593-M596 PolarHBondContact O-N 3.36Å; M593-M596 HydrophobicContact SD-CB 4.45Å; M593-I597 HydrophobicContact CG-CD1 4.5Å; M593-I597 VanDerWaalsContact O-CG1 3.32Å; M593-I597 WeakPolarHBondContact O-CG1 3.48Å; M593-I597 PolarHBondContact O-N 3.33Å; M593-L739 HydrophobicContact SD-CB 4.18Å; M593-L739 HydrophobicContact SD-CD1 3.63Å; M593-L739 HydrophobicContact SD-CG 4.49Å; M593-K742 HydrophobicContact CE-CD 3.84Å; M593-K742 HydrophobicContact CG-CD 4.49Å
594A96.1Very high95.9Very high0 Ų021.7 Ų21.70%013%0.125CC..Hα-helixtrans-64.2-40.1175.100000112V548 A587 Y591 H592 I597 I598V548-A594 HydrophobicContact CG1-CB 4.15Å; V548-A594 WeakPolarHBondContact O-CB 3.49Å; A587-A594 HydrophobicContact CB-CB 3.62Å; Y591-A594 HydrophobicContact CD1-CB 4.05Å; Y591-A594 HydrophobicContact CD2-CB 3.71Å; Y591-A594 HydrophobicContact CE2-CB 4.24Å; Y591-A594 HydrophobicContact CG-CB 3.62Å; Y591-A594 PolarHBondContact O-N 2.99Å; H592-A594 VanDerWaalsContact C-N 3.34Å; H592-A594 PolarHBondContact O-N 2.88Å; A594-I597 PolarHBondContact O-N 3.42Å; A594-I598 WeakPolarHBondContact O-CG1 3.34Å; A594-I598 PolarHBondContact O-N 3.44Å; A594-I598 VanDerWaalsContact O-N 3.15Å
595K97.3Very high95.9Very high38 Ų3822.1 Ų22.117%0.16513%0.129CC..Hα-helixtrans-65.1-38.9173.3-67.7-175.566.9155.70111.9Q157 E159 A587 Y591 H592 M593 I597 I598 K599Q157-K595 WeakPolarHBondContact O-CE 3.42Å; Q157-K595 PolarHBondContact O-NZ 3.42Å; E159-K595 VanDerWaalsContact CD-NZ 3.28Å; E159-K595 WeakPolarHBondContact OE1-CE 3.48Å; E159-K595 IonicContact OE1-NZ 2.72Å; E159-K595 PolarHBondContact OE1-NZ 3.28Å; E159-K595 IonicContact OE2-NZ 3.83Å; E159-K595 PolarHBondContact OE2-NZ 3.11Å; A587-K595 HydrophobicContact CB-CG 3.89Å; Y591-K595 PolarHBondContact O-N 2.88Å; Y591-K595 VanDerWaalsContact O-N 3.07Å; H592-K595 PolarHBondContact O-N 3.07Å; H592-K595 VanDerWaalsContact O-N 3.15Å; M593-K595 PolarHBondContact O-N 3.42Å; K595-I597 VanDerWaalsContact C-N 3.32Å; K595-I597 PolarHBondContact O-N 3.33Å; K595-I598 WeakPolarHBondContact O-CB 3.49Å; K595-I598 PolarHBondContact O-N 3.18Å; K595-K599 PolarHBondContact O-N 2.9Å
596M97.7Very high95.9Very high7 Ų727.6 Ų27.63%0.03415%0.15CC..Hα-helixtrans-60.6-40.8174.3-170.763.574.200111.7W156 H592 M593 K599 L600 L735 F736 L739W156-M596 HydrophobicContact CH2-CE 3.92Å; W156-M596 HydrophobicContact CH2-SD 3.93Å; H592-M596 PolarHBondContact O-N 3.33Å; M593-M596 WeakPolarHBondContact O-CB 3.37Å; M593-M596 PolarHBondContact O-N 3.36Å; M593-M596 HydrophobicContact SD-CB 4.45Å; M596-K599 WeakPolarHBondContact O-CB 3.29Å; M596-K599 PolarHBondContact O-N 2.95Å; M596-L600 PolarHBondContact O-N 3.48Å; M596-L735 HydrophobicContact CE-CD1 4.14Å; M596-L735 HydrophobicContact SD-CD1 4.13Å; M596-L735 HydrophobicContact SD-CG 4.27Å; M596-F736 HydrophobicContact CG-CD1 4.19Å; M596-F736 HydrophobicContact SD-CD1 3.69Å; M596-F736 HydrophobicContact SD-CE1 3.89Å; M596-L739 HydrophobicContact CG-CB 4.25Å; M596-L739 HydrophobicContact CG-CD2 4.5Å
597I98.3Very high95.9Very high1 Ų128.8 Ų28.81%0.00516%0.157CC..Hα-helixtrans-63.8-42.2175.4-66.2164.6000111.3E550 P554 L555 M593 A594 K595 K599 L600 I601 L739E550-I597 HydrophobicContact CG-CD1 4.1Å; P554-I597 HydrophobicContact CB-CG2 4.43Å; P554-I597 HydrophobicContact CG-CG2 3.92Å; L555-I597 HydrophobicContact CD1-CD1 4.06Å; L555-I597 HydrophobicContact CD1-CG1 4.18Å; L555-I597 HydrophobicContact CD2-CG1 4.08Å; L555-I597 HydrophobicContact CD2-CG2 4.03Å; L555-I597 HydrophobicContact CG-CD1 4.17Å; L555-I597 HydrophobicContact CG-CG1 4.08Å; L555-I597 HydrophobicContact CG-CG2 4.15Å; M593-I597 HydrophobicContact CG-CD1 4.5Å; M593-I597 VanDerWaalsContact O-CG1 3.32Å; M593-I597 WeakPolarHBondContact O-CG1 3.48Å; M593-I597 PolarHBondContact O-N 3.33Å; A594-I597 PolarHBondContact O-N 3.42Å; K595-I597 VanDerWaalsContact C-N 3.32Å; K595-I597 PolarHBondContact O-N 3.33Å; I597-K599 VanDerWaalsContact C-N 3.31Å; I597-K599 PolarHBondContact O-N 3.29Å; I597-L600 PolarHBondContact O-N 3.46Å; I597-I601 HydrophobicContact CG2-CD1 3.77Å; I597-I601 HydrophobicContact CG2-CG1 4.4Å; I597-I601 WeakPolarHBondContact O-CD1 3.3Å; I597-I601 VanDerWaalsContact O-CG1 3.3Å; I597-I601 WeakPolarHBondContact O-CG1 3.45Å; I597-I601 PolarHBondContact O-N 3.41Å; I597-L739 HydrophobicContact CG1-CD1 4.32Å
598I98.7Very high96.1Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-58.9-44.6174.2-65.5175.1000110.6I152 Q157 V548 A587 A594 K595 I601 N602 F622I152-I598 HydrophobicContact CD1-CG2 3.94Å; Q157-I598 HydrophobicContact CB-CD1 4.16Å; Q157-I598 HydrophobicContact CB-CG2 4.5Å; Q157-I598 VanDerWaalsContact OE1-CD1 3.31Å; V548-I598 HydrophobicContact CB-CD1 4.33Å; V548-I598 HydrophobicContact CB-CG1 4.39Å; V548-I598 HydrophobicContact CG1-CD1 4.47Å; V548-I598 HydrophobicContact CG1-CG1 4.07Å; V548-I598 HydrophobicContact CG2-CD1 3.98Å; V548-I598 HydrophobicContact CG2-CG1 4Å; A587-I598 HydrophobicContact CB-CD1 3.67Å; A594-I598 WeakPolarHBondContact O-CG1 3.34Å; A594-I598 PolarHBondContact O-N 3.44Å; A594-I598 VanDerWaalsContact O-N 3.15Å; K595-I598 WeakPolarHBondContact O-CB 3.49Å; K595-I598 PolarHBondContact O-N 3.18Å; I598-I601 PolarHBondContact O-N 3.45Å; I598-N602 WeakPolarHBondContact CG2-ND2 3.24Å; I598-N602 PolarHBondContact O-N 2.99Å; I598-N602 PolarHBondContact O-ND2 3.27Å; I598-F622 HydrophobicContact CB-CE2 4.37Å; I598-F622 HydrophobicContact CB-CZ 4.29Å; I598-F622 HydrophobicContact CD1-CZ 3.94Å; I598-F622 HydrophobicContact CG1-CE2 3.92Å; I598-F622 HydrophobicContact CG1-CZ 3.7Å; I598-F622 HydrophobicContact CG2-CD1 4.37Å; I598-F622 HydrophobicContact CG2-CD2 4.49Å; I598-F622 HydrophobicContact CG2-CE1 3.95Å; I598-F622 HydrophobicContact CG2-CE2 4.07Å; I598-F622 HydrophobicContact CG2-CZ 3.78Å
599K98.4Very high96.2Very high11 Ų1131 Ų315%0.04816%0.163CC..Hα-helixtrans-61.6-42.8176.9174.158.7175.81730112.2D154 G155 W156 K595 M596 I597 S603 L735 F736D154-K599 PolarHBondContact O-NZ 2.94Å; G155-K599 VanDerWaalsContact O-CA 3.31Å; G155-K599 WeakPolarHBondContact O-CA 3.49Å; W156-K599 HydrophobicContact CD2-CB 3.91Å; W156-K599 HydrophobicContact CD2-CD 3.99Å; W156-K599 HydrophobicContact CD2-CG 3.9Å; W156-K599 HydrophobicContact CE3-CB 3.8Å; W156-K599 HydrophobicContact CE3-CG 4.23Å; W156-K599 HydrophobicContact CG-CD 4.07Å; W156-K599 HydrophobicContact CG-CG 4.49Å; W156-K599 HydrophobicContact CH2-CB 4.22Å; W156-K599 HydrophobicContact CH2-CG 4.13Å; W156-K599 HydrophobicContact CZ2-CB 4.34Å; W156-K599 HydrophobicContact CZ2-CD 4.37Å; W156-K599 HydrophobicContact CZ2-CG 3.81Å; W156-K599 HydrophobicContact CZ3-CB 3.95Å; W156-K599 HydrophobicContact CZ3-CG 4.33Å; K595-K599 PolarHBondContact O-N 2.9Å; M596-K599 WeakPolarHBondContact O-CB 3.29Å; M596-K599 PolarHBondContact O-N 2.95Å; I597-K599 VanDerWaalsContact C-N 3.31Å; I597-K599 PolarHBondContact O-N 3.29Å; K599-S603 WeakPolarHBondContact O-CB 3.3Å; K599-S603 PolarHBondContact O-N 3.5Å; K599-S603 PolarHBondContact O-OG 2.95Å; K599-L735 HydrophobicContact CD-CD2 4.45Å; K599-L735 HydrophobicContact CG-CD2 4Å; K599-F736 HydrophobicContact CB-CE1 4.39Å; K599-F736 HydrophobicContact CG-CE1 3.91Å; K599-F736 HydrophobicContact CG-CZ 3.99Å
600L98.6Very high96.5Very high1 Ų136.9 Ų36.91%0.00518%0.184CC..Hα-helixtrans-60.3-50.5175.4177.362.8000111L555 M596 I597 N602 S603 V604 I723 Y728 F736 L739L555-L600 HydrophobicContact CD2-CD2 3.82Å; M596-L600 PolarHBondContact O-N 3.48Å; I597-L600 PolarHBondContact O-N 3.46Å; L600-N602 VanDerWaalsContact C-N 3.33Å; L600-N602 PolarHBondContact O-N 2.89Å; L600-S603 WeakPolarHBondContact O-CB 3.43Å; L600-S603 PolarHBondContact O-N 3.09Å; L600-V604 HydrophobicContact CD1-CG2 3.9Å; L600-V604 HydrophobicContact CG-CG2 4.25Å; L600-V604 WeakPolarHBondContact O-CG2 3.5Å; L600-V604 PolarHBondContact O-N 2.93Å; L600-I723 HydrophobicContact CD1-CG1 4.18Å; L600-I723 HydrophobicContact CD1-CG2 4.48Å; L600-I723 HydrophobicContact CD2-CD1 3.98Å; L600-I723 HydrophobicContact CD2-CG1 4.39Å; L600-Y728 HydrophobicContact CD1-CD2 4.31Å; L600-F736 HydrophobicContact CB-CD1 4.14Å; L600-F736 HydrophobicContact CB-CE1 3.7Å; L600-F736 HydrophobicContact CB-CZ 4.05Å; L600-F736 HydrophobicContact CD1-CD1 4.31Å; L600-F736 HydrophobicContact CD1-CD2 3.99Å; L600-F736 HydrophobicContact CD1-CE1 4.2Å; L600-F736 HydrophobicContact CD1-CE2 3.86Å; L600-F736 HydrophobicContact CD1-CG 4.22Å; L600-F736 HydrophobicContact CD1-CZ 3.98Å; L600-L739 HydrophobicContact CB-CD2 4.38Å; L600-L739 HydrophobicContact CD2-CD2 3.6Å
601I98.8Very high97Very high0 Ų035.1 Ų35.10%016%0.162CC..Hα-helixtrans-57.3-46.9-178.6-67.1158.6000111P554 C558 I583 I597 I598 S603 V604 A605 L620 F622P554-I601 HydrophobicContact CB-CD1 4.39Å; C558-I601 HydrophobicContact CB-CG1 4.09Å; I583-I601 HydrophobicContact CB-CD1 4.48Å; I583-I601 HydrophobicContact CB-CG2 4.33Å; I583-I601 HydrophobicContact CD1-CD1 4.05Å; I583-I601 HydrophobicContact CD1-CG1 4.13Å; I583-I601 HydrophobicContact CD1-CG2 4.05Å; I583-I601 HydrophobicContact CG2-CD1 3.86Å; I597-I601 HydrophobicContact CG2-CD1 3.77Å; I597-I601 HydrophobicContact CG2-CG1 4.4Å; I597-I601 WeakPolarHBondContact O-CD1 3.3Å; I597-I601 VanDerWaalsContact O-CG1 3.3Å; I597-I601 WeakPolarHBondContact O-CG1 3.45Å; I597-I601 PolarHBondContact O-N 3.41Å; I598-I601 PolarHBondContact O-N 3.45Å; I601-S603 VanDerWaalsContact C-N 3.3Å; I601-S603 PolarHBondContact O-N 3.25Å; I601-V604 PolarHBondContact O-N 3.23Å; I601-A605 VanDerWaalsContact O-CB 3.23Å; I601-A605 WeakPolarHBondContact O-CB 3.39Å; I601-A605 PolarHBondContact O-N 2.96Å; I601-L620 HydrophobicContact CG2-CD1 4.44Å; I601-L620 HydrophobicContact CG2-CD2 4.35Å; I601-F622 HydrophobicContact CB-CD2 4.3Å; I601-F622 HydrophobicContact CD1-CD2 4.34Å; I601-F622 HydrophobicContact CD1-CE2 4.33Å; I601-F622 HydrophobicContact CG2-CB 4.3Å; I601-F622 HydrophobicContact CG2-CD2 3.86Å
602N98.5Very high97.2Very high30 Ų3036.8 Ų36.816%0.1618%0.181CC..Hα-helixtrans-64.5-34.8177.3-77.1-68.7000112.6G155 I598 L600 R606 F622G155-N602 PolarHBondContact O-ND2 3.21Å; I598-N602 WeakPolarHBondContact CG2-ND2 3.24Å; I598-N602 PolarHBondContact O-N 2.99Å; I598-N602 PolarHBondContact O-ND2 3.27Å; L600-N602 VanDerWaalsContact C-N 3.33Å; L600-N602 PolarHBondContact O-N 2.89Å; N602-R606 WeakPolarHBondContact O-CB 3.44Å; N602-R606 PolarHBondContact O-N 3.01Å; N602-F622 VanDerWaalsContact OD1-CB 3.26Å; N602-F622 WeakPolarHBondContact OD1-CB 3.48Å
603S98.3Very high97.3Very high3 Ų334 Ų342%0.02117%0.169CC..Hα-helixtrans-70.2-42.4179-57.20000111.7K599 L600 I601 R606 I607 Y728K599-S603 WeakPolarHBondContact O-CB 3.3Å; K599-S603 PolarHBondContact O-N 3.5Å; K599-S603 PolarHBondContact O-OG 2.95Å; L600-S603 WeakPolarHBondContact O-CB 3.43Å; L600-S603 PolarHBondContact O-N 3.09Å; I601-S603 VanDerWaalsContact C-N 3.3Å; I601-S603 PolarHBondContact O-N 3.25Å; S603-R606 PolarHBondContact O-N 2.83Å; S603-I607 PolarHBondContact O-N 2.74Å; S603-Y728 WeakPolarHBondContact CB-O 3.39Å
604V98.6Very high97.4Very high1 Ų133 Ų331%0.00617%0.165CC..Hα-helixtrans-63.8-46.3172.6176.30000110.6I562 L600 I601 R606 I607 I608 L620 Y728I562-V604 HydrophobicContact CD1-CG2 3.93Å; I562-V604 HydrophobicContact CG1-CG1 3.76Å; I562-V604 HydrophobicContact CG1-CG2 4.05Å; L600-V604 HydrophobicContact CD1-CG2 3.9Å; L600-V604 HydrophobicContact CG-CG2 4.25Å; L600-V604 WeakPolarHBondContact O-CG2 3.5Å; L600-V604 PolarHBondContact O-N 2.93Å; I601-V604 PolarHBondContact O-N 3.23Å; V604-R606 VanDerWaalsContact C-N 3.27Å; V604-R606 PolarHBondContact O-N 3.44Å; V604-I607 PolarHBondContact O-N 3.27Å; V604-I607 VanDerWaalsContact O-N 3.15Å; V604-I608 HydrophobicContact CG1-CD1 3.81Å; V604-I608 HydrophobicContact CG1-CG1 4.4Å; V604-I608 WeakPolarHBondContact O-CG1 3.18Å; V604-I608 PolarHBondContact O-N 3.13Å; V604-L620 HydrophobicContact CB-CD2 4.06Å; V604-L620 HydrophobicContact CG1-CD2 3.74Å; V604-Y728 HydrophobicContact CB-CD1 4.21Å; V604-Y728 HydrophobicContact CB-CE1 4.38Å; V604-Y728 HydrophobicContact CG1-CE1 4.26Å; V604-Y728 HydrophobicContact CG2-CD1 3.68Å; V604-Y728 HydrophobicContact CG2-CD2 4.06Å; V604-Y728 HydrophobicContact CG2-CE1 3.9Å; V604-Y728 HydrophobicContact CG2-CE2 4.24Å; V604-Y728 HydrophobicContact CG2-CG 3.78Å
605A98.2Very high97.3Very high11 Ų1138 Ų389%0.09120%0.195CC..Hα-helixtrans-54.7-45.2178.300000111.7I601 I607 I608 D609 L620I601-A605 VanDerWaalsContact O-CB 3.23Å; I601-A605 WeakPolarHBondContact O-CB 3.39Å; I601-A605 PolarHBondContact O-N 2.96Å; A605-I607 PolarHBondContact O-N 3.34Å; A605-I608 PolarHBondContact O-N 3.08Å; A605-D609 WeakPolarHBondContact O-CB 3.15Å; A605-D609 PolarHBondContact O-N 2.95Å; A605-L620 HydrophobicContact CB-CB 4.24Å; A605-L620 HydrophobicContact CB-CD2 4.13Å; A605-L620 HydrophobicContact CB-CG 3.96Å; A605-L620 VanDerWaalsContact CB-O 3.26Å; A605-L620 WeakPolarHBondContact CB-O 3.24Å
606R96.8Very high97Very high114 Ų11438.6 Ų38.643%0.4321%0.213SC..Hα-helixtrans-60.3-45.6177.9-172.8-178.664.91660.4112.4N602 S603 V604 D609 F610N602-R606 WeakPolarHBondContact O-CB 3.44Å; N602-R606 PolarHBondContact O-N 3.01Å; S603-R606 PolarHBondContact O-N 2.83Å; V604-R606 VanDerWaalsContact C-N 3.27Å; V604-R606 PolarHBondContact O-N 3.44Å; R606-D609 PolarHBondContact O-N 3.13Å; R606-F610 HydrophobicContact CG-CD2 3.68Å; R606-F610 HydrophobicContact CG-CE2 3.57Å; R606-F610 WeakPolarHBondContact O-CD2 3.48Å; R606-F610 PolarHBondContact O-N 3.38Å
607I97.2Very high97Very high41 Ų4141 Ų4121%0.2122%0.223CC..Hα-helixtrans-63.4-44178.3-65.3-63000110.9Y565 S603 V604 A605 F610 D611 Y727 Y728Y565-I607 HydrophobicContact CE1-CG2 4.21Å; S603-I607 PolarHBondContact O-N 2.74Å; V604-I607 PolarHBondContact O-N 3.27Å; V604-I607 VanDerWaalsContact O-N 3.15Å; A605-I607 PolarHBondContact O-N 3.34Å; I607-F610 PolarHBondContact O-N 2.92Å; I607-D611 PolarHBondContact O-N 3.45Å; I607-Y727 HydrophobicContact CG2-CE1 4.21Å; I607-Y728 HydrophobicContact CB-CD1 4.37Å; I607-Y728 HydrophobicContact CG1-CD1 4.04Å
608I97.7Very high97Very high1 Ų141.3 Ų41.31%0.00523%0.225CC..Hα-helixtrans-61.4-45.4177.9-69.6174.2000110.9A561 Y565 V604 A605 F610 D611 T614 L618 L620A561-I608 HydrophobicContact CB-CD1 4.05Å; Y565-I608 HydrophobicContact CD2-CG1 4.09Å; Y565-I608 HydrophobicContact CG-CG1 4.24Å; V604-I608 HydrophobicContact CG1-CD1 3.81Å; V604-I608 HydrophobicContact CG1-CG1 4.4Å; V604-I608 WeakPolarHBondContact O-CG1 3.18Å; V604-I608 PolarHBondContact O-N 3.13Å; A605-I608 PolarHBondContact O-N 3.08Å; I608-F610 VanDerWaalsContact C-N 3.33Å; I608-F610 PolarHBondContact O-N 3.01Å; I608-D611 PolarHBondContact O-N 3.05Å; I608-T614 HydrophobicContact CG2-CG2 4.13Å; I608-T614 PolarHBondContact O-OG1 2.76Å; I608-L618 HydrophobicContact CD1-CD2 4.12Å; I608-L618 HydrophobicContact CG2-CD2 4.38Å; I608-L618 HydrophobicContact CG2-CG 4.18Å; I608-L618 WeakPolarHBondContact CG2-O 3.19Å; I608-L620 HydrophobicContact CD1-CB 4.09Å; I608-L620 HydrophobicContact CD1-CD2 4.39Å
609D95.2Very high97Very high89 Ų8943.2 Ų43.248%0.47623%0.233SC..Hα-helixtrans-70.3-27.3-174.8-154.548.4000113A605 R606 K619A605-D609 WeakPolarHBondContact O-CB 3.15Å; A605-D609 PolarHBondContact O-N 2.95Å; R606-D609 PolarHBondContact O-N 3.13Å; D609-K619 IonicContact OD1-NZ 3.99Å; D609-K619 PolarHBondContact OD1-NZ 3.12Å; D609-K619 IonicContact OD2-NZ 2.9Å
610F95.3Very high97Very high165 Ų16542.9 Ų42.972%0.72423%0.232SC*.Hα-helixtrans-87.5-13.6177.5-79.2-61.1000114.7R606 I607 I608 P612R606-F610 HydrophobicContact CG-CD2 3.68Å; R606-F610 HydrophobicContact CG-CE2 3.57Å; R606-F610 WeakPolarHBondContact O-CD2 3.48Å; R606-F610 PolarHBondContact O-N 3.38Å; I607-F610 PolarHBondContact O-N 2.92Å; I608-F610 VanDerWaalsContact C-N 3.33Å; I608-F610 PolarHBondContact O-N 3.01Å; F610-P612 WeakPolarHBondContact O-CD 3.27Å
611D96.8Very high97Very high19 Ų1943.3 Ų43.310%0.10223%0.234CC..  trans-87115.3-178.6-165.4-36.3000111Y565 K569 I607 I608 I613 T614Y565-D611 HydrophobicContact CE2-CB 3.92Å; Y565-D611 WeakPolarHBondContact CE2-OD2 3.15Å; Y565-D611 PolarHBondContact OH-OD2 3.08Å; K569-D611 VanDerWaalsContact CD-OD2 3.3Å; K569-D611 WeakPolarHBondContact CD-OD2 3.38Å; K569-D611 WeakPolarHBondContact CE-OD2 3.43Å; K569-D611 IonicContact NZ-OD1 3.36Å; K569-D611 IonicContact NZ-OD2 3.75Å; K569-D611 PolarHBondContact NZ-OD2 2.78Å; I607-D611 PolarHBondContact O-N 3.45Å; I608-D611 PolarHBondContact O-N 3.05Å; D611-I613 PolarHBondContact O-N 3.08Å; D611-I613 WeakPolarHBondContact OD1-CB 3.32Å; D611-I613 PolarHBondContact OD1-N 3.07Å; D611-T614 HydrophobicContact CB-CG2 4.2Å; D611-T614 PolarHBondContact O-N 2.77Å; D611-T614 PolarHBondContact O-OG1 2.83Å
612P96.2Very high96.9Very high106 Ų10644 Ų4469%0.68824%0.237SC*.G310 helixtrans-57.5-25.6-178.4-25.835.8000114.2F610 T614 T615F610-P612 WeakPolarHBondContact O-CD 3.27Å; P612-T614 PolarHBondContact O-N 3.17Å; P612-T615 WeakPolarHBondContact O-CB 3.41Å; P612-T615 PolarHBondContact O-N 3.27Å; P612-T615 PolarHBondContact O-OG1 2.98Å
613I96.3Very high96.9Very high52 Ų5242.6 Ų42.627%0.26723%0.229SC..G310 helixtrans-63.3-27-179.8-65.9171.5000111.8L568 K569 P572 D611L568-I613 HydrophobicContact CB-CG2 4.14Å; K569-I613 HydrophobicContact CD-CD1 3.92Å; P572-I613 HydrophobicContact CB-CG2 4.18Å; P572-I613 HydrophobicContact CG-CD1 4.41Å; D611-I613 PolarHBondContact O-N 3.08Å; D611-I613 WeakPolarHBondContact OD1-CB 3.32Å; D611-I613 PolarHBondContact OD1-N 3.07Å
614T96.3Very high96.8Very high3 Ų346.4 Ų46.42%0.01824%0.243CC..G310 helixtrans-87.9-13.2-177.9690000112.8Y565 I608 D611 P612 G616 K617 L618Y565-T614 HydrophobicContact CD2-CG2 3.6Å; Y565-T614 HydrophobicContact CE2-CG2 3.84Å; I608-T614 HydrophobicContact CG2-CG2 4.13Å; I608-T614 PolarHBondContact O-OG1 2.76Å; D611-T614 HydrophobicContact CB-CG2 4.2Å; D611-T614 PolarHBondContact O-N 2.77Å; D611-T614 PolarHBondContact O-OG1 2.83Å; P612-T614 PolarHBondContact O-N 3.17Å; T614-G616 PolarHBondContact O-N 2.7Å; T614-K617 WeakPolarHBondContact O-CA 3.06Å; T614-K617 PolarHBondContact O-N 3.06Å; T614-L618 PolarHBondContact O-N 3.08Å
615T93.8Very high96.6Very high104 Ų10446.6 Ų46.664%0.63824%0.244SC*.THydrogen-bonded Turntrans-57.2125-171.6-64.50000110.9P612 K617P612-T615 WeakPolarHBondContact O-CB 3.41Å; P612-T615 PolarHBondContact O-N 3.27Å; P612-T615 PolarHBondContact O-OG1 2.98Å; T615-K617 PolarHBondContact O-N 3.4Å
616G92.3Very high96.5Very high52 Ų5247.7 Ų47.754%0.53625%0.246SC..THydrogen-bonded Turntrans73.1-3.9-177.800000115.4P578 T614P578-G616 WeakPolarHBondContact CB-O 3.17Å; T614-G616 PolarHBondContact O-N 2.7Å
617K96.7Very high96.5Very high58 Ų5845 Ų4525%0.25224%0.236SC..THydrogen-bonded Turntrans-110.3-49-178.6-61.3-176-176.8-1740112.8L568 P572 M576 P578 R579 T614 T615L568-K617 HydrophobicContact CD1-CB 4.39Å; L568-K617 HydrophobicContact CD2-CD 3.79Å; P572-K617 PolarHBondContact O-NZ 3.05Å; M576-K617 HydrophobicContact CG-CB 4.47Å; M576-K617 HydrophobicContact SD-CB 4.16Å; P578-K617 CarbonylContact C-O 3.12Å; P578-K617 VanDerWaalsContact CA-O 3.29Å; P578-K617 WeakPolarHBondContact CA-O 3.43Å; R579-K617 PolarHBondContact N-O 2.68Å; T614-K617 WeakPolarHBondContact O-CA 3.06Å; T614-K617 PolarHBondContact O-N 3.06Å; T615-K617 PolarHBondContact O-N 3.4Å
618L98.2Very high96.5Very high7 Ų743.2 Ų43.24%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-137.4127.3-175.5-179.265.7000110.1M564 L568 R579 I581 I608 T614M564-L618 HydrophobicContact CB-CD1 4.45Å; M564-L618 HydrophobicContact CB-CD2 3.9Å; L568-L618 HydrophobicContact CD1-CB 3.99Å; L568-L618 HydrophobicContact CD1-CD2 4.32Å; R579-L618 WeakPolarHBondContact O-CA 3.45Å; I581-L618 HydrophobicContact CD1-CD1 3.91Å; I608-L618 HydrophobicContact CD1-CD2 4.12Å; I608-L618 HydrophobicContact CG2-CD2 4.38Å; I608-L618 HydrophobicContact CG2-CG 4.18Å; I608-L618 WeakPolarHBondContact CG2-O 3.19Å; T614-L618 PolarHBondContact O-N 3.08Å
619K98.2Very high96.5Very high40 Ų4043.3 Ų43.317%0.17423%0.228CC..EExtended strand (participates in β ladder)trans-132.8136.2170.9-169.2160.2-176.5119.80109.6Q534 L535 R579 T580 I581 D609 I621Q534-K619 WeakPolarHBondContact O-CE 3.46Å; Q534-K619 PolarHBondContact O-NZ 3.18Å; L535-K619 HydrophobicContact CD2-CD 3.93Å; R579-K619 PolarHBondContact O-N 2.72Å; T580-K619 CarbonylContact C-O 3.52Å; T580-K619 WeakPolarHBondContact CA-O 3.25Å; T580-K619 HydrophobicContact CG2-CB 4.46Å; I581-K619 PolarHBondContact N-O 3.17Å; D609-K619 IonicContact OD1-NZ 3.99Å; D609-K619 PolarHBondContact OD1-NZ 3.12Å; D609-K619 IonicContact OD2-NZ 2.9Å; K619-I621 HydrophobicContact CG-CG2 4.11Å
620L98.7Very high96.5Very high4 Ų439.1 Ų39.12%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-119.5129.3171.6173.665.1000108A561 I581 I583 I601 V604 A605 I608A561-L620 HydrophobicContact CB-CD2 3.99Å; I581-L620 HydrophobicContact CB-CD1 3.8Å; I581-L620 HydrophobicContact CG2-CD1 3.64Å; I581-L620 CarbonylContact O-C 3.5Å; I581-L620 WeakPolarHBondContact O-CA 3.16Å; I583-L620 HydrophobicContact CD1-CD1 4.02Å; I583-L620 HydrophobicContact CG1-CD1 4.22Å; I601-L620 HydrophobicContact CG2-CD1 4.44Å; I601-L620 HydrophobicContact CG2-CD2 4.35Å; V604-L620 HydrophobicContact CB-CD2 4.06Å; V604-L620 HydrophobicContact CG1-CD2 3.74Å; A605-L620 HydrophobicContact CB-CB 4.24Å; A605-L620 HydrophobicContact CB-CD2 4.13Å; A605-L620 HydrophobicContact CB-CG 3.96Å; A605-L620 VanDerWaalsContact CB-O 3.26Å; A605-L620 WeakPolarHBondContact CB-O 3.24Å; I608-L620 HydrophobicContact CD1-CB 4.09Å; I608-L620 HydrophobicContact CD1-CD2 4.39Å
621I98.1Very high96.7Very high10 Ų1031.4 Ų31.45%0.05117%0.172CC..EExtended strand (participates in β ladder)trans-130148.6174.868171000111.3M527 I533 L535 I581 I582 I583 K619M527-I621 HydrophobicContact CE-CD1 4.06Å; I533-I621 HydrophobicContact CG2-CG2 4.16Å; L535-I621 HydrophobicContact CD1-CD1 4.14Å; L535-I621 HydrophobicContact CD2-CD1 4Å; L535-I621 HydrophobicContact CD2-CG2 4.12Å; I581-I621 PolarHBondContact O-N 2.93Å; I582-I621 HydrophobicContact CB-CD1 4.39Å; I582-I621 HydrophobicContact CB-CG1 4.11Å; I582-I621 HydrophobicContact CD1-CD1 4.3Å; I582-I621 HydrophobicContact CG1-CD1 3.88Å; I582-I621 HydrophobicContact CG1-CG1 3.85Å; I582-I621 HydrophobicContact CG2-CD1 4Å; I582-I621 HydrophobicContact CG2-CG1 3.98Å; I583-I621 PolarHBondContact N-O 3.3Å; K619-I621 HydrophobicContact CG-CG2 4.11Å
622F98.4Very high96.8Very high14 Ų1431.6 Ų31.66%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-101.2116.2166.3-165.8-91.2000110.9I152 V548 I583 G585 I598 I601 N602 R624I152-F622 HydrophobicContact CD1-CD1 4Å; I152-F622 HydrophobicContact CD1-CE1 3.96Å; I152-F622 HydrophobicContact CG1-CD1 4.28Å; V548-F622 HydrophobicContact CG2-CZ 4.38Å; I583-F622 HydrophobicContact CB-CD2 4.45Å; I583-F622 HydrophobicContact CG2-CD2 4.38Å; I583-F622 HydrophobicContact CG2-CE2 4.31Å; I583-F622 CarbonylContact O-C 3.47Å; I583-F622 WeakPolarHBondContact O-CA 3.43Å; G585-F622 WeakPolarHBondContact O-CZ 3.25Å; I598-F622 HydrophobicContact CB-CE2 4.37Å; I598-F622 HydrophobicContact CB-CZ 4.29Å; I598-F622 HydrophobicContact CD1-CZ 3.94Å; I598-F622 HydrophobicContact CG1-CE2 3.92Å; I598-F622 HydrophobicContact CG1-CZ 3.7Å; I598-F622 HydrophobicContact CG2-CD1 4.37Å; I598-F622 HydrophobicContact CG2-CD2 4.49Å; I598-F622 HydrophobicContact CG2-CE1 3.95Å; I598-F622 HydrophobicContact CG2-CE2 4.07Å; I598-F622 HydrophobicContact CG2-CZ 3.78Å; I601-F622 HydrophobicContact CB-CD2 4.3Å; I601-F622 HydrophobicContact CD1-CD2 4.34Å; I601-F622 HydrophobicContact CD1-CE2 4.33Å; I601-F622 HydrophobicContact CG2-CB 4.3Å; I601-F622 HydrophobicContact CG2-CD2 3.86Å; N602-F622 VanDerWaalsContact OD1-CB 3.26Å; N602-F622 WeakPolarHBondContact OD1-CB 3.48Å; F622-R624 PolarHBondContact O-N 2.9Å; F622-R624 VanDerWaalsContact O-N 3.1Å
623L97.2Very high96.8Very high0 Ų030 Ų300%015%0.152CC..EExtended strand (participates in β ladder)trans-82.189.9-179.5-167.971.2000110.5F523 M527 V545 I582 I583 Y626 L630 I634F523-L623 HydrophobicContact CZ-CD1 4.15Å; M527-L623 HydrophobicContact CE-CD1 3.76Å; M527-L623 HydrophobicContact SD-CD1 3.74Å; V545-L623 HydrophobicContact CG1-CD2 4.14Å; I582-L623 HydrophobicContact CG2-CB 4.08Å; I582-L623 HydrophobicContact CG2-CD2 4.42Å; I583-L623 PolarHBondContact O-N 3.06Å; L623-Y626 HydrophobicContact CD2-CD2 4.39Å; L623-L630 HydrophobicContact CD1-CD1 4.3Å; L623-L630 HydrophobicContact CD1-CD2 3.98Å; L623-L630 HydrophobicContact CD1-CG 4.49Å; L623-L630 HydrophobicContact CD2-CD1 4.32Å; L623-L630 HydrophobicContact CD2-CD2 3.56Å; L623-L630 HydrophobicContact CD2-CG 3.79Å; L623-L630 HydrophobicContact CG-CD2 3.5Å; L623-L630 VanDerWaalsContact CG-CD2 3.5Å; L623-L630 HydrophobicContact CG-CG 4.21Å; L623-I634 HydrophobicContact CD2-CB 4.48Å; L623-I634 HydrophobicContact CD2-CG2 4.46Å
624R95.7Very high96.9Very high84 Ų8427.5 Ų27.532%0.31714%0.14SC..  trans-59.9152.7177.970.7172.7178.7153.4-1.8113.7M151 I152 R531 F622 Y626M151-R624 PolarHBondContact SD-NH1 3.33Å; I152-R624 HydrophobicContact CG1-CB 3.62Å; R531-R624 VanDerWaalsContact CZ-O 3.27Å; R531-R624 VanDerWaalsContact NH1-CG 3.33Å; R531-R624 PolarHBondContact NH1-O 2.98Å; R531-R624 PolarHBondContact NH2-O 2.79Å; F622-R624 PolarHBondContact O-N 2.9Å; F622-R624 VanDerWaalsContact O-N 3.1Å; R624-Y626 PolarHBondContact O-N 2.84Å
625N95.6Very high97.1Very high4 Ų427.4 Ų27.42%0.02114%0.139CC..SBendtrans49.450.6178.2-154.514.9000113.9H149 Q150 K586 R627H149-N625 PolarHBondContact CE1-ND2 3.38Å; H149-N625 PolarHBondContact ND1-ND2 3.35Å; H149-N625 PolarHBondContact NE2-ND2 3.22Å; Q150-N625 HydrophobicContact CB-CB 4.15Å; Q150-N625 PolarHBondContact N-OD1 3.43Å; Q150-N625 WeakPolarHBondContact O-CB 3.43Å; K586-N625 WeakPolarHBondContact CE-OD1 3.3Å; K586-N625 PolarHBondContact NZ-OD1 2.92Å; N625-R627 PolarHBondContact ND2-NH1 3.22Å; N625-R627 PolarHBondContact O-N 2.83Å
626Y96.8Very high97.3Very high35 Ų3522.6 Ų22.614%0.13711%0.109CC..  trans-60.1125.6175.5-175.7-111.9000111V545 K586 L623 R624 L630 A631 I634V545-Y626 HydrophobicContact CB-CD2 3.97Å; V545-Y626 HydrophobicContact CB-CE1 4.23Å; V545-Y626 HydrophobicContact CB-CE2 3.61Å; V545-Y626 HydrophobicContact CB-CG 4.43Å; V545-Y626 HydrophobicContact CG1-CD2 4.31Å; V545-Y626 HydrophobicContact CG1-CE2 4.24Å; V545-Y626 HydrophobicContact CG2-CE2 3.71Å; K586-Y626 WeakPolarHBondContact CE-O 3.38Å; L623-Y626 HydrophobicContact CD2-CD2 4.39Å; R624-Y626 PolarHBondContact O-N 2.84Å; Y626-L630 HydrophobicContact CD2-CD2 4.43Å; Y626-A631 HydrophobicContact CE2-CB 3.78Å; Y626-A631 WeakPolarHBondContact OH-CB 3.47Å; Y626-I634 HydrophobicContact CE2-CG2 4.26Å
627R96.1Very high97.6Very high57 Ų5720.1 Ų20.122%0.2158%0.084CC..  trans-155.8-178.8-174.264.5-172.4-179-149.33.5110F72 D110 N625 S629 L630 A631F72-R627 HydrophobicContact CE2-CB 4.45Å; F72-R627 HydrophobicContact CZ-CB 4.12Å; D110-R627 IonicContact OD1-NE 2.75Å; N625-R627 PolarHBondContact ND2-NH1 3.22Å; N625-R627 PolarHBondContact O-N 2.83Å; R627-S629 WeakPolarHBondContact CG-OG 3.27Å; R627-S629 PolarHBondContact NE-OG 3.35Å; R627-L630 HydrophobicContact CG-CB 4.21Å; R627-L630 PolarHBondContact O-N 3.06Å; R627-A631 WeakPolarHBondContact O-CB 3.18Å; R627-A631 PolarHBondContact O-N 3.4Å
628V97.5Very high97.7Very high3 Ų317.3 Ų17.32%0.0187%0.072CC..Hα-helixtrans-64.5-48.4-174178.60000111.6F72 D110 W468 L630 A631 E632F72-V628 HydrophobicContact CD1-CG2 4.17Å; F72-V628 HydrophobicContact CD2-CG2 3.59Å; F72-V628 HydrophobicContact CE1-CG2 4.35Å; F72-V628 HydrophobicContact CE2-CG2 3.8Å; F72-V628 HydrophobicContact CG-CG2 3.81Å; F72-V628 HydrophobicContact CZ-CG2 4.19Å; D110-V628 PolarHBondContact OD2-N 2.85Å; D110-V628 VanDerWaalsContact OD2-N 3.14Å; W468-V628 HydrophobicContact CH2-CG1 4.06Å; W468-V628 HydrophobicContact CZ2-CG1 4.35Å; V628-L630 PolarHBondContact O-N 3.08Å; V628-A631 WeakPolarHBondContact O-CA 3.45Å; V628-A631 WeakPolarHBondContact O-CB 3.36Å; V628-A631 PolarHBondContact O-N 2.67Å; V628-E632 HydrophobicContact CG1-CG 4.46Å; V628-E632 WeakPolarHBondContact O-CG 3.35Å; V628-E632 PolarHBondContact O-N 3.31Å
629S96.7Very high97.8Very high4 Ų417.2 Ų17.23%0.0287%0.071CC..Hα-helixtrans-58.1-37177.850.40000112.8D110 R627D110-S629 WeakPolarHBondContact OD1-CB 3.18Å; D110-S629 PolarHBondContact OD1-OG 3.45Å; D110-S629 PolarHBondContact OD2-N 3.24Å; D110-S629 PolarHBondContact OD2-OG 2.93Å; R627-S629 WeakPolarHBondContact CG-OG 3.27Å; R627-S629 PolarHBondContact NE-OG 3.35Å
630L96.8Very high97.8Very high1 Ų115.3 Ų15.31%0.0056%0.063CC..Hα-helixtrans-74-36.3176.8-169.858.4000112.2Y526 R531 L623 Y626 R627 V628 E632 R633 I634Y526-L630 HydrophobicContact CE1-CD1 3.78Å; R531-L630 VanDerWaalsContact NH2-CD2 3.26Å; L623-L630 HydrophobicContact CD1-CD1 4.3Å; L623-L630 HydrophobicContact CD1-CD2 3.98Å; L623-L630 HydrophobicContact CD1-CG 4.49Å; L623-L630 HydrophobicContact CD2-CD1 4.32Å; L623-L630 HydrophobicContact CD2-CD2 3.56Å; L623-L630 HydrophobicContact CD2-CG 3.79Å; L623-L630 HydrophobicContact CG-CD2 3.5Å; L623-L630 VanDerWaalsContact CG-CD2 3.5Å; L623-L630 HydrophobicContact CG-CG 4.21Å; Y626-L630 HydrophobicContact CD2-CD2 4.43Å; R627-L630 HydrophobicContact CG-CB 4.21Å; R627-L630 PolarHBondContact O-N 3.06Å; V628-L630 PolarHBondContact O-N 3.08Å; L630-E632 VanDerWaalsContact C-N 3.33Å; L630-R633 PolarHBondContact O-N 3.44Å; L630-R633 VanDerWaalsContact O-N 3.16Å; L630-I634 WeakPolarHBondContact O-CG2 3.35Å; L630-I634 PolarHBondContact O-N 2.89Å
631A98.4Very high97.8Very high2 Ų215.1 Ų15.12%0.0176%0.062CC..Hα-helixtrans-61.1-41.3173.900000111.8W468 Y626 R627 V628 R633 I634 I635W468-A631 HydrophobicContact CH2-CB 3.81Å; W468-A631 HydrophobicContact CZ3-CB 3.87Å; Y626-A631 HydrophobicContact CE2-CB 3.78Å; Y626-A631 WeakPolarHBondContact OH-CB 3.47Å; R627-A631 WeakPolarHBondContact O-CB 3.18Å; R627-A631 PolarHBondContact O-N 3.4Å; V628-A631 WeakPolarHBondContact O-CA 3.45Å; V628-A631 WeakPolarHBondContact O-CB 3.36Å; V628-A631 PolarHBondContact O-N 2.67Å; A631-R633 PolarHBondContact O-N 2.96Å; A631-R633 VanDerWaalsContact O-N 3.17Å; A631-I634 PolarHBondContact O-N 2.87Å; A631-I635 HydrophobicContact CB-CD1 3.95Å; A631-I635 VanDerWaalsContact O-CB 3.29Å; A631-I635 WeakPolarHBondContact O-CB 3.41Å; A631-I635 WeakPolarHBondContact O-CD1 3.46Å; A631-I635 WeakPolarHBondContact O-CG1 3.3Å; A631-I635 PolarHBondContact O-N 2.67Å
632E98.3Very high97.8Very high23 Ų2314.7 Ų14.711%0.1076%0.059CC..Hα-helixtrans-59.8-22.8175.7-71.8170.6174.800112.6R467 W468 C472 V628 L630 P636R467-E632 VanDerWaalsContact CD-OE1 3.22Å; R467-E632 WeakPolarHBondContact CD-OE1 3.37Å; R467-E632 VanDerWaalsContact CG-OE1 3.22Å; R467-E632 WeakPolarHBondContact CG-OE1 3.42Å; R467-E632 IonicContact CZ-OE1 3.21Å; R467-E632 IonicContact NE-OE1 3.57Å; R467-E632 IonicContact NH1-OE1 3.38Å; R467-E632 PolarHBondContact NH1-OE1 3.46Å; W468-E632 HydrophobicContact CH2-CG 4.49Å; W468-E632 HydrophobicContact CZ3-CG 4.01Å; C472-E632 HydrophobicContact CB-CB 3.94Å; C472-E632 HydrophobicContact CB-CG 4.17Å; C472-E632 WeakPolarHBondContact CB-O 3.26Å; V628-E632 HydrophobicContact CG1-CG 4.46Å; V628-E632 WeakPolarHBondContact O-CG 3.35Å; V628-E632 PolarHBondContact O-N 3.31Å; L630-E632 VanDerWaalsContact C-N 3.33Å; E632-P636 WeakPolarHBondContact O-CD 3.38Å; E632-P636 VanDerWaalsContact O-CG 3.3Å; E632-P636 WeakPolarHBondContact O-CG 3.45Å
633R97.8Very high97.8Very high73 Ų7314.5 Ų14.528%0.2756%0.059SC..Hα-helixtrans-91.9-46.7177.2-64.9175.9169.4-79-4.8113.1E106 F523 L630 A631E106-R633 VanDerWaalsContact CD-NH2 3.3Å; E106-R633 IonicContact OE1-CZ 3.72Å; E106-R633 IonicContact OE1-NE 2.71Å; E106-R633 IonicContact OE1-NH2 2.74Å; E106-R633 PolarHBondContact OE1-NH2 3.11Å; E106-R633 IonicContact OE2-NH2 3.96Å; F523-R633 HydrophobicContact CD2-CB 4.1Å; L630-R633 PolarHBondContact O-N 3.44Å; L630-R633 VanDerWaalsContact O-N 3.16Å; A631-R633 PolarHBondContact O-N 2.96Å; A631-R633 VanDerWaalsContact O-N 3.17Å
634I98.6Very high97.9Very high0 Ų014.5 Ų14.50%06%0.059CC..Hα-helixtrans-75.3-35.4-175.1-174.462000112.8F523 V543 V545 I582 L623 Y626 L630 A631 A637 T638F523-I634 HydrophobicContact CD1-CD1 4.07Å; F523-I634 HydrophobicContact CD2-CB 4.38Å; F523-I634 HydrophobicContact CD2-CD1 4.28Å; F523-I634 HydrophobicContact CE1-CD1 3.62Å; F523-I634 HydrophobicContact CE2-CB 3.92Å; F523-I634 HydrophobicContact CE2-CD1 3.87Å; F523-I634 HydrophobicContact CE2-CG1 4.42Å; F523-I634 HydrophobicContact CG-CD1 4.38Å; F523-I634 HydrophobicContact CZ-CB 4.35Å; F523-I634 HydrophobicContact CZ-CD1 3.52Å; F523-I634 HydrophobicContact CZ-CG1 4.37Å; V543-I634 HydrophobicContact CG1-CD1 4.35Å; V543-I634 HydrophobicContact CG1-CG1 3.76Å; V543-I634 HydrophobicContact CG2-CD1 4.06Å; V543-I634 HydrophobicContact CG2-CG1 4.31Å; V545-I634 HydrophobicContact CG2-CG2 4.29Å; I582-I634 HydrophobicContact CD1-CD1 3.71Å; I582-I634 HydrophobicContact CG2-CD1 4.38Å; L623-I634 HydrophobicContact CD2-CB 4.48Å; L623-I634 HydrophobicContact CD2-CG2 4.46Å; Y626-I634 HydrophobicContact CE2-CG2 4.26Å; L630-I634 WeakPolarHBondContact O-CG2 3.35Å; L630-I634 PolarHBondContact O-N 2.89Å; A631-I634 PolarHBondContact O-N 2.87Å; I634-A637 PolarHBondContact O-N 3.16Å; I634-T638 PolarHBondContact O-N 3.08Å; I634-T638 VanDerWaalsContact O-N 3.15Å; I634-T638 PolarHBondContact O-OG1 3.12Å
635I98.8Very high98Very high0 Ų010.8 Ų10.80%05%0.045CC..Hα-helixtrans-61.3-49.5-175.8-69.3166.5000111.8W468 A631 A637 T638 K658 F659 N662W468-I635 HydrophobicContact CE3-CD1 3.94Å; W468-I635 HydrophobicContact CH2-CD1 4.45Å; W468-I635 HydrophobicContact CZ3-CD1 3.63Å; A631-I635 HydrophobicContact CB-CD1 3.95Å; A631-I635 VanDerWaalsContact O-CB 3.29Å; A631-I635 WeakPolarHBondContact O-CB 3.41Å; A631-I635 WeakPolarHBondContact O-CD1 3.46Å; A631-I635 WeakPolarHBondContact O-CG1 3.3Å; A631-I635 PolarHBondContact O-N 2.67Å; I635-A637 PolarHBondContact O-N 3.17Å; I635-T638 PolarHBondContact O-N 3.28Å; I635-K658 HydrophobicContact CD1-CB 3.84Å; I635-K658 HydrophobicContact CD1-CD 3.69Å; I635-K658 HydrophobicContact CD1-CG 4.39Å; I635-K658 HydrophobicContact CG2-CB 4Å; I635-K658 WeakPolarHBondContact CG2-O 3.39Å; I635-F659 HydrophobicContact CB-CD1 4.42Å; I635-F659 HydrophobicContact CB-CE1 4.16Å; I635-F659 HydrophobicContact CG1-CD1 4.29Å; I635-F659 HydrophobicContact CG1-CE1 3.76Å; I635-F659 HydrophobicContact CG1-CE2 4.34Å; I635-F659 HydrophobicContact CG1-CZ 3.8Å; I635-F659 HydrophobicContact CG2-CD1 4.12Å; I635-F659 HydrophobicContact CG2-CE1 4.35Å; I635-N662 HydrophobicContact CG2-CB 3.98Å
636P98.8Very high98Very high3 Ų310.6 Ų10.62%0.0194%0.044CC..Hα-helixtrans-60.8-31.2176.2-24.635.2000113.9C472 N473 K516 N519 E632C472-P636 HydrophobicContact CB-CG 4.02Å; C472-P636 VanDerWaalsContact O-CG 3.28Å; C472-P636 WeakPolarHBondContact O-CG 3.26Å; N473-P636 HydrophobicContact CB-CB 4.13Å; N473-P636 HydrophobicContact CB-CG 4.12Å; K516-P636 WeakPolarHBondContact CD-O 3.47Å; K516-P636 PolarHBondContact NZ-O 2.83Å; N519-P636 HydrophobicContact CB-CB 4.01Å; N519-P636 WeakPolarHBondContact CB-O 3.28Å; N519-P636 WeakPolarHBondContact ND2-CB 3.33Å; N519-P636 PolarHBondContact ND2-O 2.57Å; E632-P636 WeakPolarHBondContact O-CD 3.38Å; E632-P636 VanDerWaalsContact O-CG 3.3Å; E632-P636 WeakPolarHBondContact O-CG 3.45Å
637A98.8Very high98Very high0 Ų09 Ų90%04%0.038CC..Hα-helixtrans-82.7-9.6-177.900000114.4N519 K520 F523 F541 I634 I635N519-A637 HydrophobicContact CB-CB 4.44Å; K520-A637 HydrophobicContact CG-CB 4.17Å; K520-A637 WeakPolarHBondContact CG-O 3.15Å; F523-A637 HydrophobicContact CB-CB 3.71Å; F523-A637 HydrophobicContact CG-CB 4.19Å; F541-A637 HydrophobicContact CD2-CB 4.31Å; F541-A637 WeakPolarHBondContact CD2-O 3.26Å; I634-A637 PolarHBondContact O-N 3.16Å; I635-A637 PolarHBondContact O-N 3.17Å
638T98.9Very high97.7Very high0 Ų07 Ų70%04%0.035CC..  trans-80.4136.6-171.6-65.40000112.3K516 V543 I634 I635 L640 F659 A664K516-T638 WeakPolarHBondContact CE-O 3.34Å; K516-T638 PolarHBondContact NZ-O 3.25Å; V543-T638 HydrophobicContact CB-CG2 3.68Å; V543-T638 HydrophobicContact CG2-CG2 3.63Å; V543-T638 VanDerWaalsContact CG2-OG1 3.29Å; V543-T638 WeakPolarHBondContact CG2-OG1 3.27Å; I634-T638 PolarHBondContact O-N 3.08Å; I634-T638 VanDerWaalsContact O-N 3.15Å; I634-T638 PolarHBondContact O-OG1 3.12Å; I635-T638 PolarHBondContact O-N 3.28Å; T638-L640 WeakPolarHBondContact CG2-O 3.36Å; T638-F659 HydrophobicContact CG2-CD1 3.7Å; T638-F659 HydrophobicContact CG2-CE1 3.61Å; T638-F659 VanDerWaalsContact OG1-CE1 3.28Å; T638-F659 WeakPolarHBondContact OG1-CE1 3.18Å; T638-A664 HydrophobicContact CG2-CB 3.78Å; T638-A664 WeakPolarHBondContact O-CB 3.43Å
639D98.9Very high97.5Very high5 Ų56.9 Ų6.93%0.0274%0.035CC..SBendtrans-93.2-49.4172.7-67.5-49.3000110.7K520 L540 F541 A664 L665 Y769 W775K520-D639 WeakPolarHBondContact CE-OD2 3.32Å; K520-D639 IonicContact NZ-OD2 2.83Å; K520-D639 PolarHBondContact NZ-OD2 3.14Å; L540-D639 HydrophobicContact CG-CB 4.24Å; F541-D639 PolarHBondContact N-OD2 3.08Å; F541-D639 PolarHBondContact O-N 3.01Å; F541-D639 VanDerWaalsContact O-N 3.13Å; D639-A664 WeakPolarHBondContact O-CA 3.4Å; D639-L665 PolarHBondContact O-N 3.08Å; D639-Y769 HydrophobicContact CB-CE2 4.24Å; D639-Y769 PolarHBondContact OD2-OH 3.15Å; D639-W775 HydrophobicContact CB-CZ2 3.99Å; D639-W775 WeakPolarHBondContact O-CZ2 3.43Å
640L98.9Very high97.4Very high0 Ų08 Ų80%04%0.04CC..EExtended strand (participates in β ladder)trans-120.3130.4179.7-172.874.8000110.8L540 F541 V543 T638 L665 I667 F687 V765L540-L640 HydrophobicContact CD2-CB 3.94Å; F541-L640 PolarHBondContact O-N 2.91Å; V543-L640 PolarHBondContact N-O 2.78Å; T638-L640 WeakPolarHBondContact CG2-O 3.36Å; L640-L665 CarbonylContact C-O 3.57Å; L640-L665 WeakPolarHBondContact CA-O 3.36Å; L640-L665 HydrophobicContact CD1-CB 4.46Å; L640-I667 HydrophobicContact CD1-CB 4.06Å; L640-I667 HydrophobicContact CD1-CG2 3.96Å; L640-I667 HydrophobicContact CD2-CB 4.39Å; L640-I667 HydrophobicContact CD2-CG2 3.7Å; L640-I667 HydrophobicContact CG-CB 4.41Å; L640-I667 HydrophobicContact CG-CG2 3.76Å; L640-F687 HydrophobicContact CD1-CD2 4.03Å; L640-F687 HydrophobicContact CD1-CE2 4.21Å; L640-V765 HydrophobicContact CD1-CG1 3.86Å; L640-V765 HydrophobicContact CD1-CG2 3.78Å; L640-V765 HydrophobicContact CD2-CB 4.47Å; L640-V765 HydrophobicContact CD2-CG1 3.85Å; L640-V765 HydrophobicContact CD2-CG2 4.05Å; L640-V765 HydrophobicContact CG-CG1 4.34Å
641S98.9Very high97.2Very high0 Ų08.5 Ų8.50%04%0.044CC..EExtended strand (participates in β ladder)trans-108.5120.9179-168.90000111.7Q643 F659 L665 I667S641-Q643 PolarHBondContact O-N 3.03Å; S641-Q643 PolarHBondContact OG-NE2 3.05Å; S641-F659 WeakPolarHBondContact OG-CB 3.06Å; S641-F659 WeakPolarHBondContact OG-CD2 3.38Å; S641-F659 WeakPolarHBondContact OG-CE2 3.15Å; S641-F659 WeakPolarHBondContact OG-CG 3.41Å; S641-L665 PolarHBondContact N-O 3.06Å; S641-I667 PolarHBondContact O-N 3.19Å
642E98.8Very high96.9Very high0 Ų08.6 Ų8.60%04%0.044CC..EExtended strand (participates in β ladder)trans-84.598.5-178.9-70.9-80.2-165.700111.4D542 V543 H544 K546 I644 I667 Y758 Q762D542-E642 WeakPolarHBondContact OD1-CG 3.24Å; V543-E642 WeakPolarHBondContact O-CB 3.4Å; V543-E642 PolarHBondContact O-N 3.4Å; H544-E642 HydrophobicContact CB-CB 3.72Å; H544-E642 HydrophobicContact CB-CG 4.17Å; H544-E642 WeakPolarHBondContact ND1-CB 3.36Å; K546-E642 PolarHBondContact NZ-O 3.14Å; E642-I644 WeakPolarHBondContact OE2-CG2 3.39Å; E642-I667 HydrophobicContact CG-CG2 4.18Å; E642-I667 VanDerWaalsContact OE2-CG2 3.29Å; E642-I667 WeakPolarHBondContact OE2-CG2 3.47Å; E642-Y758 PolarHBondContact OE1-OH 3.09Å; E642-Q762 PolarHBondContact OE1-NE2 3.01Å
643Q98.5Very high96.6Very high11 Ų118.3 Ų8.35%0.0515%0.048CC..EExtended strand (participates in β ladder)trans-112.965.8179.9-53.3-59.6-22.800110.3S641 P645 N656 T666 I667 G668 T669 N674S641-Q643 PolarHBondContact O-N 3.03Å; S641-Q643 PolarHBondContact OG-NE2 3.05Å; Q643-P645 WeakPolarHBondContact O-CD 3.49Å; Q643-N656 HydrophobicContact CB-CB 4.43Å; Q643-N656 HydrophobicContact CG-CB 3.62Å; Q643-T666 HydrophobicContact CB-CG2 3.78Å; Q643-T666 HydrophobicContact CG-CG2 3.7Å; Q643-I667 PolarHBondContact N-O 2.93Å; Q643-G668 WeakPolarHBondContact O-CA 3.45Å; Q643-T669 PolarHBondContact O-N 2.87Å; Q643-N674 WeakPolarHBondContact CB-ND2 3.5Å; Q643-N674 WeakPolarHBondContact CB-OD1 3.35Å; Q643-N674 PolarHBondContact O-ND2 3.06Å
644I98.6Very high96.5Very high0 Ų05.4 Ų5.40%04%0.038CC..  trans-113.538-162.563175.1000115.3R553 L556 P557 E642 F689 Y758R553-I644 PolarHBondContact NE-O 2.95Å; R553-I644 PolarHBondContact NH2-O 3.14Å; R553-I644 WeakPolarHBondContact O-CD1 3.43Å; L556-I644 HydrophobicContact CB-CD1 3.79Å; L556-I644 HydrophobicContact CD1-CD1 4.14Å; P557-I644 VanDerWaalsContact CD-CD1 3.47Å; P557-I644 HydrophobicContact CG-CD1 4.24Å; E642-I644 WeakPolarHBondContact OE2-CG2 3.39Å; I644-F689 HydrophobicContact CB-CE1 4.24Å; I644-F689 HydrophobicContact CB-CZ 3.87Å; I644-F689 HydrophobicContact CG2-CE1 3.46Å; I644-F689 VanDerWaalsContact CG2-CE1 3.46Å; I644-F689 HydrophobicContact CG2-CZ 3.55Å; I644-Y758 HydrophobicContact CG2-CE2 4.44Å
645P97.4Very high96.4Very high5 Ų56.3 Ų6.33%0.0325%0.048CC..PPolyproline II helixtrans-62.1154.6175.232.3-35.5000111.2Y551 R553 Q643 V647 E650 T669 D671Y551-P645 HydrophobicContact CD2-CB 4.26Å; Y551-P645 CarbonylContact O-C 3.43Å; Y551-P645 VanDerWaalsContact O-CA 3.23Å; Y551-P645 WeakPolarHBondContact O-CA 3.44Å; R553-P645 PolarHBondContact NH2-O 2.93Å; Q643-P645 WeakPolarHBondContact O-CD 3.49Å; P645-V647 PolarHBondContact O-N 3.37Å; P645-E650 HydrophobicContact CB-CB 3.89Å; P645-E650 HydrophobicContact CG-CB 3.65Å; P645-E650 HydrophobicContact CG-CG 4.4Å; P645-T669 WeakPolarHBondContact O-CG2 3.46Å; P645-T669 PolarHBondContact O-OG1 3.21Å; P645-D671 HydrophobicContact CG-CB 4Å; P645-D671 WeakPolarHBondContact CG-OD2 3.38Å
646C96.6Very high96.4Very high0 Ų06.4 Ų6.40%05%0.048CC..PPolyproline II helixtrans-59.2132.8167.7178.30000108.6Y551 G648 T649 D671 F749Y551-C646 PolarHBondContact O-N 3.44Å; C646-G648 PolarHBondContact O-N 3.48Å; C646-T649 HydrophobicContact CB-CG2 3.94Å; C646-T649 WeakPolarHBondContact O-CB 3.07Å; C646-T649 WeakPolarHBondContact O-CG2 3.35Å; C646-T649 PolarHBondContact O-N 3.05Å; C646-T649 VanDerWaalsContact O-N 3.17Å; C646-T649 PolarHBondContact O-OG1 3.46Å; C646-D671 VanDerWaalsContact O-OD2 3.08Å; C646-F749 HydrophobicContact CB-CB 4.03Å; C646-F749 HydrophobicContact CB-CD1 4.29Å
647V95.3Very high96.4Very high1 Ų16.3 Ų6.31%0.0065%0.047CC..THydrogen-bonded Turntrans-58.3136.4-176.9176.10000111.2P645 T669 D671 R691 I693 V696P645-V647 PolarHBondContact O-N 3.37Å; V647-T669 HydrophobicContact CG2-CG2 4.12Å; V647-D671 HydrophobicContact CG2-CB 4.3Å; V647-R691 WeakPolarHBondContact CG2-O 3.32Å; V647-I693 HydrophobicContact CG1-CB 3.77Å; V647-I693 HydrophobicContact CG1-CD1 4.03Å; V647-I693 HydrophobicContact CG1-CG1 4.47Å; V647-V696 HydrophobicContact CB-CG2 4.27Å
648G91.3Very high96.4Very high15 Ų157 Ų716%0.1555%0.05CC..THydrogen-bonded Turntrans86.510.6-175.400000114.6C646 D671C646-G648 PolarHBondContact O-N 3.48Å; G648-D671 WeakPolarHBondContact CA-OD1 3.42Å; G648-D671 PolarHBondContact N-OD1 2.8Å
649T93.2Very high96.4Very high1 Ų17 Ų71%0.0065%0.05CC..SBendtrans-116.7-28.3-175.867.40000113.7S356 Y551 C646 D671 F749S356-T649 PolarHBondContact OG-O 3.25Å; Y551-T649 WeakPolarHBondContact CD2-OG1 3.28Å; C646-T649 HydrophobicContact CB-CG2 3.94Å; C646-T649 WeakPolarHBondContact O-CB 3.07Å; C646-T649 WeakPolarHBondContact O-CG2 3.35Å; C646-T649 PolarHBondContact O-N 3.05Å; C646-T649 VanDerWaalsContact O-N 3.17Å; C646-T649 PolarHBondContact O-OG1 3.46Å; T649-D671 PolarHBondContact N-OD2 3.27Å; T649-F749 HydrophobicContact CG2-CD1 4.45Å
650E92.9Very high96.3Very high29 Ų296.8 Ų6.814%0.1365%0.049CC..  trans-93118.6174.3-164.881.3-136.800111.1K552 P645 S652 D671 G672K552-E650 IonicContact NZ-OE1 3.44Å; K552-E650 PolarHBondContact NZ-OE1 3.39Å; K552-E650 IonicContact NZ-OE2 3.32Å; K552-E650 PolarHBondContact NZ-OE2 2.94Å; P645-E650 HydrophobicContact CB-CB 3.89Å; P645-E650 HydrophobicContact CG-CB 3.65Å; P645-E650 HydrophobicContact CG-CG 4.4Å; E650-S652 VanDerWaalsContact C-N 3.29Å; E650-S652 PolarHBondContact O-N 2.77Å; E650-D671 WeakPolarHBondContact CB-OD2 3.3Å; E650-D671 PolarHBondContact N-OD2 3.32Å; E650-G672 WeakPolarHBondContact O-CA 3.38Å; E650-G672 PolarHBondContact O-N 3.33Å
651A92.6Very high96.3Very high10 Ų106.9 Ų6.98%0.0835%0.05CC..SBendtrans-64.2-34.1176.800000112.8H354 V432 S433 Q436H354-A651 VanDerWaalsContact O-CB 3.27Å; H354-A651 WeakPolarHBondContact O-CB 3.3Å; V432-A651 HydrophobicContact CG2-CB 3.78Å; S433-A651 VanDerWaalsContact CB-O 3.26Å; S433-A651 WeakPolarHBondContact CB-O 3.26Å; S433-A651 PolarHBondContact OG-O 2.71Å; Q436-A651 HydrophobicContact CB-CB 4.29Å; Q436-A651 VanDerWaalsContact CB-O 3.31Å; Q436-A651 WeakPolarHBondContact CB-O 3.44Å; Q436-A651 HydrophobicContact CG-CB 3.77Å
652S93.9Very high96.3Very high4 Ų47 Ų73%0.0285%0.05CC..  trans-156.9-70.6179.8161.70000111.4V432 N461 E650 S673V432-S652 WeakPolarHBondContact O-CB 3.49Å; N461-S652 WeakPolarHBondContact ND2-CB 3.34Å; N461-S652 PolarHBondContact ND2-OG 2.88Å; N461-S652 VanDerWaalsContact ND2-OG 3.11Å; E650-S652 VanDerWaalsContact C-N 3.29Å; E650-S652 PolarHBondContact O-N 2.77Å; S652-S673 WeakPolarHBondContact CA-OG 3.4Å; S652-S673 WeakPolarHBondContact CB-OG 3.46Å; S652-S673 WeakPolarHBondContact O-CB 3.43Å; S652-S673 PolarHBondContact O-N 2.82Å; S652-S673 PolarHBondContact OG-OG 3.35Å
653G91.1Very high96.3Very high18 Ų187 Ų719%0.1865%0.051CC..  trans82.4128.5-167.100000111.6N656G653-N656 PolarHBondContact O-ND2 3.13Å; G653-N656 PolarHBondContact O-OD1 3.15Å
654T95.9Very high96.3Very high11 Ų116.5 Ų6.57%0.0675%0.048CC..SBendtrans-113.4-11.117554.70000112.9L121 N461 N656 M657 K658L121-T654 HydrophobicContact CD1-CG2 4.35Å; N461-T654 HydrophobicContact CB-CG2 3.88Å; T654-N656 WeakPolarHBondContact CA-OD1 3.49Å; T654-N656 PolarHBondContact N-OD1 3.08Å; T654-M657 HydrophobicContact CG2-SD 4.33Å; T654-M657 PolarHBondContact O-N 3.45Å; T654-K658 WeakPolarHBondContact O-CG 3.28Å; T654-K658 PolarHBondContact O-N 3.2Å
655G97Very high96.3Very high20 Ų206.5 Ų6.521%0.2065%0.048CC..Hα-helixtrans-63.8-46.9174.500000111.6M657 K658 F659G655-M657 VanDerWaalsContact C-N 3.29Å; G655-M657 PolarHBondContact O-N 3.46Å; G655-K658 WeakPolarHBondContact O-CB 3.44Å; G655-K658 PolarHBondContact O-N 3.15Å; G655-F659 WeakPolarHBondContact O-CD2 3.48Å; G655-F659 PolarHBondContact O-N 3.04Å; G655-F659 VanDerWaalsContact O-N 3.08Å
656N97.7Very high96.4Very high1 Ų16.2 Ų6.21%0.0055%0.047CC..Hα-helixtrans-48.1-46.2172.953.6-1.7000112.9Q643 G653 T654 K658 F659 M660 N674 I677Q643-N656 HydrophobicContact CB-CB 4.43Å; Q643-N656 HydrophobicContact CG-CB 3.62Å; G653-N656 PolarHBondContact O-ND2 3.13Å; G653-N656 PolarHBondContact O-OD1 3.15Å; T654-N656 WeakPolarHBondContact CA-OD1 3.49Å; T654-N656 PolarHBondContact N-OD1 3.08Å; N656-K658 VanDerWaalsContact C-N 3.33Å; N656-K658 PolarHBondContact O-N 2.64Å; N656-F659 PolarHBondContact O-N 2.99Å; N656-M660 WeakPolarHBondContact O-CB 3.46Å; N656-M660 PolarHBondContact O-N 3.06Å; N656-N674 PolarHBondContact ND2-OD1 3.18Å; N656-I677 HydrophobicContact CB-CD1 3.6Å
657M98.5Very high96.5Very high1 Ų16.2 Ų6.21%0.0055%0.047CC..Hα-helixtrans-62.4-38.2178.2-59.2171.4-174.900112.1T460 N461 I463 T654 G655 L661 S673 I677 F789T460-M657 HydrophobicContact CG2-CE 4.43Å; N461-M657 HydrophobicContact CB-CE 4.07Å; N461-M657 WeakPolarHBondContact O-CE 3.4Å; I463-M657 HydrophobicContact CD1-CB 3.92Å; I463-M657 HydrophobicContact CG1-CB 4.13Å; I463-M657 HydrophobicContact CG2-CB 4.24Å; I463-M657 HydrophobicContact CG2-SD 4.48Å; T654-M657 HydrophobicContact CG2-SD 4.33Å; T654-M657 PolarHBondContact O-N 3.45Å; G655-M657 VanDerWaalsContact C-N 3.29Å; G655-M657 PolarHBondContact O-N 3.46Å; M657-L661 WeakPolarHBondContact O-CB 3.25Å; M657-L661 PolarHBondContact O-N 3.22Å; M657-S673 WeakPolarHBondContact CE-OG 3.39Å; M657-I677 HydrophobicContact CG-CD1 4.37Å; M657-F789 HydrophobicContact CB-CB 3.97Å; M657-F789 HydrophobicContact CB-CG 4.41Å; M657-F789 HydrophobicContact CE-CD1 3.74Å; M657-F789 HydrophobicContact CE-CE1 4.33Å; M657-F789 HydrophobicContact CG-CB 3.79Å; M657-F789 HydrophobicContact CG-CD1 3.88Å; M657-F789 HydrophobicContact CG-CG 3.86Å; M657-F789 HydrophobicContact SD-CB 3.92Å; M657-F789 HydrophobicContact SD-CD1 3.96Å; M657-F789 HydrophobicContact SD-CG 4.26Å
658K98.7Very high96.6Very high14 Ų146.2 Ų6.26%0.0615%0.046CC..Hα-helixtrans-69.5-41.7180-57.1164.9-169-178.40110.9I463 W468 I635 T654 G655 N656 L661 N662I463-K658 HydrophobicContact CB-CG 4.43Å; I463-K658 VanDerWaalsContact CD1-CA 3.45Å; I463-K658 HydrophobicContact CD1-CB 4.04Å; I463-K658 HydrophobicContact CD1-CG 3.59Å; I463-K658 HydrophobicContact CG2-CG 3.95Å; W468-K658 HydrophobicContact CB-CG 4.27Å; W468-K658 HydrophobicContact CD2-CD 3.61Å; W468-K658 HydrophobicContact CD2-CG 3.84Å; W468-K658 VanDerWaalsContact CE2-CE 3.43Å; W468-K658 HydrophobicContact CE3-CD 3.76Å; W468-K658 HydrophobicContact CE3-CG 4.17Å; W468-K658 HydrophobicContact CG-CD 4.17Å; W468-K658 HydrophobicContact CG-CG 3.89Å; W468-K658 HydrophobicContact CH2-CD 4.13Å; W468-K658 HydrophobicContact CZ2-CD 3.98Å; W468-K658 HydrophobicContact CZ3-CD 4.02Å; I635-K658 HydrophobicContact CD1-CB 3.84Å; I635-K658 HydrophobicContact CD1-CD 3.69Å; I635-K658 HydrophobicContact CD1-CG 4.39Å; I635-K658 HydrophobicContact CG2-CB 4Å; I635-K658 WeakPolarHBondContact CG2-O 3.39Å; T654-K658 WeakPolarHBondContact O-CG 3.28Å; T654-K658 PolarHBondContact O-N 3.2Å; G655-K658 WeakPolarHBondContact O-CB 3.44Å; G655-K658 PolarHBondContact O-N 3.15Å; N656-K658 VanDerWaalsContact C-N 3.33Å; N656-K658 PolarHBondContact O-N 2.64Å; K658-L661 PolarHBondContact O-N 2.98Å; K658-N662 WeakPolarHBondContact O-CB 3.14Å; K658-N662 PolarHBondContact O-N 2.79Å; K658-N662 VanDerWaalsContact O-N 3.14Å; K658-N662 PolarHBondContact O-ND2 3.38Å
659F98.8Very high97Very high1 Ų15.5 Ų5.50%0.0044%0.039CC..Hα-helixtrans-62.8-48.5175.9-78.4-63.8000111.5V543 V545 I635 T638 S641 G655 N656 L661 N662 G663 A664V543-F659 HydrophobicContact CG1-CE1 4.4Å; V543-F659 HydrophobicContact CG1-CZ 4.08Å; V545-F659 HydrophobicContact CG2-CE2 4.1Å; V545-F659 HydrophobicContact CG2-CZ 3.67Å; I635-F659 HydrophobicContact CB-CD1 4.42Å; I635-F659 HydrophobicContact CB-CE1 4.16Å; I635-F659 HydrophobicContact CG1-CD1 4.29Å; I635-F659 HydrophobicContact CG1-CE1 3.76Å; I635-F659 HydrophobicContact CG1-CE2 4.34Å; I635-F659 HydrophobicContact CG1-CZ 3.8Å; I635-F659 HydrophobicContact CG2-CD1 4.12Å; I635-F659 HydrophobicContact CG2-CE1 4.35Å; T638-F659 HydrophobicContact CG2-CD1 3.7Å; T638-F659 HydrophobicContact CG2-CE1 3.61Å; T638-F659 VanDerWaalsContact OG1-CE1 3.28Å; T638-F659 WeakPolarHBondContact OG1-CE1 3.18Å; S641-F659 WeakPolarHBondContact OG-CB 3.06Å; S641-F659 WeakPolarHBondContact OG-CD2 3.38Å; S641-F659 WeakPolarHBondContact OG-CE2 3.15Å; S641-F659 WeakPolarHBondContact OG-CG 3.41Å; G655-F659 WeakPolarHBondContact O-CD2 3.48Å; G655-F659 PolarHBondContact O-N 3.04Å; G655-F659 VanDerWaalsContact O-N 3.08Å; N656-F659 PolarHBondContact O-N 2.99Å; F659-L661 PolarHBondContact O-N 3.21Å; F659-N662 CarbonylContact O-C 3.51Å; F659-N662 PolarHBondContact O-N 3.33Å; F659-N662 VanDerWaalsContact O-N 3.12Å; F659-G663 PolarHBondContact O-N 2.87Å; F659-G663 VanDerWaalsContact O-N 3.14Å; F659-A664 HydrophobicContact CB-CB 3.89Å; F659-A664 HydrophobicContact CD1-CB 3.89Å; F659-A664 HydrophobicContact CG-CB 4.34Å; F659-A664 PolarHBondContact O-N 2.9Å
660M98.5Very high97.1Very high0 Ų08.2 Ų8.20%05%0.053CC..Hα-helixtrans-54.6-49.8175178.7-172.7-176.500112N656 N662 G663 I677 V681 N782 A785 A786 F789N656-M660 WeakPolarHBondContact O-CB 3.46Å; N656-M660 PolarHBondContact O-N 3.06Å; M660-N662 PolarHBondContact O-N 2.91Å; M660-G663 PolarHBondContact O-N 3.2Å; M660-G663 VanDerWaalsContact O-N 3.08Å; M660-I677 HydrophobicContact CE-CG2 4.47Å; M660-I677 HydrophobicContact SD-CB 4.34Å; M660-I677 HydrophobicContact SD-CD1 4.44Å; M660-I677 HydrophobicContact SD-CG1 3.89Å; M660-I677 HydrophobicContact SD-CG2 3.81Å; M660-V681 HydrophobicContact CE-CG1 3.2Å; M660-V681 HydrophobicContact SD-CG1 4.36Å; M660-N782 VanDerWaalsContact CE-O 3.3Å; M660-N782 WeakPolarHBondContact CE-O 3.4Å; M660-N782 HydrophobicContact CG-CB 4.22Å; M660-N782 WeakPolarHBondContact CG-O 3.49Å; M660-A785 VanDerWaalsContact CE-C 3.48Å; M660-A785 HydrophobicContact CE-CB 3.69Å; M660-A786 HydrophobicContact CE-CB 4.25Å; M660-A786 HydrophobicContact CG-CB 4.18Å; M660-A786 HydrophobicContact SD-CB 4.31Å; M660-F789 HydrophobicContact CE-CD2 4.23Å; M660-F789 HydrophobicContact CE-CE2 3.89Å; M660-F789 HydrophobicContact SD-CD2 3.61Å; M660-F789 HydrophobicContact SD-CE2 3.54Å; M660-F789 VanDerWaalsContact SD-CE2 3.54Å
661L98.7Very high97.2Very high2 Ų26.9 Ų6.91%0.015%0.046CC..Hα-helixtrans-62-29179.6-176.260.3000113.1I463 L469 L493 L496 M657 K658 F659 A786I463-L661 HydrophobicContact CD1-CB 4.44Å; I463-L661 HydrophobicContact CD1-CD2 4.04Å; L469-L661 HydrophobicContact CB-CD2 3.91Å; L469-L661 HydrophobicContact CB-CG 4.23Å; L469-L661 HydrophobicContact CD2-CD1 3.95Å; L469-L661 HydrophobicContact CD2-CD2 4.39Å; L469-L661 HydrophobicContact CD2-CG 4.16Å; L493-L661 HydrophobicContact CD1-CD1 4.42Å; L493-L661 HydrophobicContact CD2-CD1 4.08Å; L493-L661 HydrophobicContact CD2-CD2 4.34Å; L496-L661 HydrophobicContact CD1-CD1 3.72Å; M657-L661 WeakPolarHBondContact O-CB 3.25Å; M657-L661 PolarHBondContact O-N 3.22Å; K658-L661 PolarHBondContact O-N 2.98Å; F659-L661 PolarHBondContact O-N 3.21Å; L661-A786 HydrophobicContact CB-CB 4.11Å; L661-A786 HydrophobicContact CD1-CB 3.67Å
662N98.9Very high97.2Very high2 Ų26.4 Ų6.41%0.0114%0.042CC..THydrogen-bonded Turntrans-9611.9178.5-76-86.6000113.5W468 N473 K516 I635 K658 F659 M660 A664W468-N662 PolarHBondContact O-ND2 3.18Å; N473-N662 VanDerWaalsContact CB-OD1 3.26Å; N473-N662 WeakPolarHBondContact CB-OD1 3.28Å; N473-N662 PolarHBondContact ND2-OD1 2.79Å; K516-N662 PolarHBondContact NZ-O 3.22Å; I635-N662 HydrophobicContact CG2-CB 3.98Å; K658-N662 WeakPolarHBondContact O-CB 3.14Å; K658-N662 PolarHBondContact O-N 2.79Å; K658-N662 VanDerWaalsContact O-N 3.14Å; K658-N662 PolarHBondContact O-ND2 3.38Å; F659-N662 CarbonylContact O-C 3.51Å; F659-N662 PolarHBondContact O-N 3.33Å; F659-N662 VanDerWaalsContact O-N 3.12Å; M660-N662 PolarHBondContact O-N 2.91Å; N662-A664 PolarHBondContact O-N 3.35Å
663G98.3Very high97.3Very high1 Ų16.2 Ų6.21%0.014%0.041CC..THydrogen-bonded Turntrans7423.8174.600000115F659 M660 V779F659-G663 PolarHBondContact O-N 2.87Å; F659-G663 VanDerWaalsContact O-N 3.14Å; M660-G663 PolarHBondContact O-N 3.2Å; M660-G663 VanDerWaalsContact O-N 3.08Å; G663-V779 WeakPolarHBondContact O-CG1 3.16Å; G663-V779 WeakPolarHBondContact O-CG2 3.29Å
664A98.8Very high97.6Very high0 Ų05.6 Ų5.60%03%0.033CC..PPolyproline II helixtrans-83.1136.1164.300000109.5T638 D639 F659 N662T638-A664 HydrophobicContact CG2-CB 3.78Å; T638-A664 WeakPolarHBondContact O-CB 3.43Å; D639-A664 WeakPolarHBondContact O-CA 3.4Å; F659-A664 HydrophobicContact CB-CB 3.89Å; F659-A664 HydrophobicContact CD1-CB 3.89Å; F659-A664 HydrophobicContact CG-CB 4.34Å; F659-A664 PolarHBondContact O-N 2.9Å; N662-A664 PolarHBondContact O-N 3.35Å
665L98.8Very high97.6Very high0 Ų06.3 Ų6.30%04%0.036CC..EExtended strand (participates in β ladder)trans-79147.4174.3-56.9-171.1000110D639 L640 S641 F687 W775 M778 V779 N782D639-L665 PolarHBondContact O-N 3.08Å; L640-L665 CarbonylContact C-O 3.57Å; L640-L665 WeakPolarHBondContact CA-O 3.36Å; L640-L665 HydrophobicContact CD1-CB 4.46Å; S641-L665 PolarHBondContact N-O 3.06Å; L665-F687 HydrophobicContact CB-CD2 4.48Å; L665-F687 HydrophobicContact CB-CE2 3.95Å; L665-F687 HydrophobicContact CD1-CE2 3.83Å; L665-F687 HydrophobicContact CD1-CZ 4.23Å; L665-W775 HydrophobicContact CB-CH2 4.26Å; L665-W775 HydrophobicContact CB-CZ2 4.46Å; L665-W775 HydrophobicContact CD1-CD2 3.8Å; L665-W775 HydrophobicContact CD1-CE3 3.59Å; L665-W775 HydrophobicContact CD1-CH2 3.65Å; L665-W775 HydrophobicContact CD1-CZ2 3.8Å; L665-W775 HydrophobicContact CD1-CZ3 3.55Å; L665-W775 HydrophobicContact CG-CH2 4.09Å; L665-W775 HydrophobicContact CG-CZ2 3.97Å; L665-W775 HydrophobicContact CG-CZ3 4.47Å; L665-M778 HydrophobicContact CD1-CB 3.8Å; L665-M778 HydrophobicContact CD1-CE 3.84Å; L665-M778 HydrophobicContact CD1-SD 4.1Å; L665-M778 HydrophobicContact CD2-CB 3.76Å; L665-M778 HydrophobicContact CG-CB 4.48Å; L665-V779 HydrophobicContact CD2-CG2 4.05Å; L665-V779 HydrophobicContact CG-CG2 4.25Å; L665-N782 WeakPolarHBondContact CD2-ND2 3.35Å
666T98.8Very high97.6Very high0 Ų05.5 Ų5.50%03%0.027CC..EExtended strand (participates in β ladder)trans-100.5125-178.4-61.60000110.6Q643 F678 F687Q643-T666 HydrophobicContact CB-CG2 3.78Å; Q643-T666 HydrophobicContact CG-CG2 3.7Å; T666-F678 HydrophobicContact CG2-CE1 3.84Å; T666-F678 HydrophobicContact CG2-CZ 4.03Å; T666-F687 PolarHBondContact O-N 2.96Å
667I98.8Very high97.6Very high0 Ų05.4 Ų5.40%03%0.027CC..EExtended strand (participates in β ladder)trans-97.6126156.6-177.5168.4000107.6L640 S641 E642 Q643 F687 F689 Y758 A761 Q762 V765L640-I667 HydrophobicContact CD1-CB 4.06Å; L640-I667 HydrophobicContact CD1-CG2 3.96Å; L640-I667 HydrophobicContact CD2-CB 4.39Å; L640-I667 HydrophobicContact CD2-CG2 3.7Å; L640-I667 HydrophobicContact CG-CB 4.41Å; L640-I667 HydrophobicContact CG-CG2 3.76Å; S641-I667 PolarHBondContact O-N 3.19Å; E642-I667 HydrophobicContact CG-CG2 4.18Å; E642-I667 VanDerWaalsContact OE2-CG2 3.29Å; E642-I667 WeakPolarHBondContact OE2-CG2 3.47Å; Q643-I667 PolarHBondContact N-O 2.93Å; I667-F687 WeakPolarHBondContact CA-O 3.36Å; I667-F687 HydrophobicContact CB-CB 4.09Å; I667-F687 HydrophobicContact CG1-CB 4.15Å; I667-F689 HydrophobicContact CD1-CD1 4.38Å; I667-F689 HydrophobicContact CD1-CE1 4.46Å; I667-F689 HydrophobicContact CG1-CD1 3.79Å; I667-F689 HydrophobicContact CG1-CE1 3.84Å; I667-Y758 HydrophobicContact CD1-CD2 3.94Å; I667-Y758 HydrophobicContact CD1-CE2 3.72Å; I667-Y758 HydrophobicContact CG1-CE2 4.42Å; I667-A761 HydrophobicContact CD1-CB 3.87Å; I667-A761 HydrophobicContact CG1-CB 4.35Å; I667-Q762 HydrophobicContact CD1-CG 3.81Å; I667-V765 HydrophobicContact CD1-CG2 4.34Å
668G98.3Very high97.5Very high0 Ų05.4 Ų5.40%03%0.027CC..EExtended strand (participates in β ladder)trans-170.5163.7-171.100000116.2Q643 F687 V688 F689Q643-G668 WeakPolarHBondContact O-CA 3.45Å; G668-F687 PolarHBondContact N-O 3.03Å; G668-V688 WeakPolarHBondContact O-CA 3.38Å; G668-F689 PolarHBondContact O-N 3.38Å; G668-F689 VanDerWaalsContact O-N 3.15Å
669T97.9Very high97.4Very high0 Ų010.3 Ų10.30%05%0.05CC..  trans-84.7158.6172.245.90000111.5Q643 P645 V647 D671 N674 F689Q643-T669 PolarHBondContact O-N 2.87Å; P645-T669 WeakPolarHBondContact O-CG2 3.46Å; P645-T669 PolarHBondContact O-OG1 3.21Å; V647-T669 HydrophobicContact CG2-CG2 4.12Å; T669-D671 PolarHBondContact O-N 3.42Å; T669-N674 VanDerWaalsContact O-CB 3.29Å; T669-N674 WeakPolarHBondContact O-CB 3.49Å; T669-N674 PolarHBondContact O-ND2 2.95Å; T669-F689 WeakPolarHBondContact CA-O 3.4Å; T669-F689 HydrophobicContact CG2-CE2 4.37Å; T669-F689 HydrophobicContact CG2-CZ 4.25Å; T669-F689 WeakPolarHBondContact CG2-O 3.43Å
670M96.2Very high97.3Very high59 Ų5913.3 Ų13.329%0.2916%0.064SC..SBendtrans-73.265.8171-67.1-64.7-69.200110.9I675 F678 V688M670-I675 HydrophobicContact CB-CG1 4.29Å; M670-I675 HydrophobicContact CE-CB 4.43Å; M670-I675 HydrophobicContact CE-CG1 4.14Å; M670-I675 HydrophobicContact CE-CG2 4.1Å; M670-F678 HydrophobicContact SD-CD2 3.51Å; M670-F678 VanDerWaalsContact SD-CD2 3.51Å; M670-F678 HydrophobicContact SD-CE2 4.08Å; M670-V688 HydrophobicContact CG-CG1 3.75Å; M670-V688 HydrophobicContact SD-CG1 3.9Å
671D94.6Very high97.2Very high1 Ų113.4 Ų13.41%0.0057%0.065CC..  trans-134.3149.1-177.7-161.430.8000112.3P645 C646 V647 G648 T649 E650 T669 S673 N674P645-D671 HydrophobicContact CG-CB 4Å; P645-D671 WeakPolarHBondContact CG-OD2 3.38Å; C646-D671 VanDerWaalsContact O-OD2 3.08Å; V647-D671 HydrophobicContact CG2-CB 4.3Å; G648-D671 WeakPolarHBondContact CA-OD1 3.42Å; G648-D671 PolarHBondContact N-OD1 2.8Å; T649-D671 PolarHBondContact N-OD2 3.27Å; E650-D671 WeakPolarHBondContact CB-OD2 3.3Å; E650-D671 PolarHBondContact N-OD2 3.32Å; T669-D671 PolarHBondContact O-N 3.42Å; D671-S673 PolarHBondContact O-N 3.15Å; D671-N674 VanDerWaalsContact O-CB 3.24Å; D671-N674 WeakPolarHBondContact O-CB 3.43Å; D671-N674 PolarHBondContact O-N 3.27Å
672G93.5Very high97Very high0 Ų014.6 Ų14.60%08%0.077CC..THydrogen-bonded Turntrans48-133.8179.900000113.6E650 N674 I675E650-G672 WeakPolarHBondContact O-CA 3.38Å; E650-G672 PolarHBondContact O-N 3.33Å; G672-N674 PolarHBondContact O-N 2.94Å; G672-I675 PolarHBondContact O-N 3.32Å
673S95.2Very high96.6Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-77.5-4-179.7-63.70000113.8S652 M657 D671 I675 E676 I677S652-S673 WeakPolarHBondContact CA-OG 3.4Å; S652-S673 WeakPolarHBondContact CB-OG 3.46Å; S652-S673 WeakPolarHBondContact O-CB 3.43Å; S652-S673 PolarHBondContact O-N 2.82Å; S652-S673 PolarHBondContact OG-OG 3.35Å; M657-S673 WeakPolarHBondContact CE-OG 3.39Å; D671-S673 PolarHBondContact O-N 3.15Å; S673-I675 PolarHBondContact O-N 3.39Å; S673-E676 PolarHBondContact O-N 3.39Å; S673-I677 WeakPolarHBondContact O-CG1 3.28Å; S673-I677 PolarHBondContact O-N 2.81Å
674N96.9Very high96.5Very high4 Ų424.1 Ų24.12%0.02113%0.132CC..Hα-helixtrans-63-36170.6-67.5-10000111.1Q643 N656 T669 D671 G672 E676 I677 F678Q643-N674 WeakPolarHBondContact CB-ND2 3.5Å; Q643-N674 WeakPolarHBondContact CB-OD1 3.35Å; Q643-N674 PolarHBondContact O-ND2 3.06Å; N656-N674 PolarHBondContact ND2-OD1 3.18Å; T669-N674 VanDerWaalsContact O-CB 3.29Å; T669-N674 WeakPolarHBondContact O-CB 3.49Å; T669-N674 PolarHBondContact O-ND2 2.95Å; D671-N674 VanDerWaalsContact O-CB 3.24Å; D671-N674 WeakPolarHBondContact O-CB 3.43Å; D671-N674 PolarHBondContact O-N 3.27Å; G672-N674 PolarHBondContact O-N 2.94Å; N674-E676 VanDerWaalsContact C-N 3.29Å; N674-E676 PolarHBondContact O-N 3.01Å; N674-I677 PolarHBondContact O-N 3.02Å; N674-F678 HydrophobicContact CB-CD2 4.28Å; N674-F678 HydrophobicContact CB-CE2 3.76Å; N674-F678 HydrophobicContact CB-CZ 4.03Å; N674-F678 WeakPolarHBondContact O-CB 3.47Å; N674-F678 WeakPolarHBondContact O-CD2 3.45Å; N674-F678 WeakPolarHBondContact O-CG 3.25Å; N674-F678 PolarHBondContact O-N 3.37Å
675I96.4Very high96.4Very high26 Ų2625.4 Ų25.413%0.13314%0.138CC..Hα-helixtrans-56.4-48.9176.9-60.7173.9000109.7F435 M670 G672 S673 F678 Q679F435-I675 HydrophobicContact CB-CD1 3.77Å; F435-I675 HydrophobicContact CD1-CD1 4.47Å; F435-I675 HydrophobicContact CD2-CD1 3.59Å; F435-I675 HydrophobicContact CE2-CD1 4.31Å; F435-I675 HydrophobicContact CG-CD1 3.69Å; M670-I675 HydrophobicContact CB-CG1 4.29Å; M670-I675 HydrophobicContact CE-CB 4.43Å; M670-I675 HydrophobicContact CE-CG1 4.14Å; M670-I675 HydrophobicContact CE-CG2 4.1Å; G672-I675 PolarHBondContact O-N 3.32Å; S673-I675 PolarHBondContact O-N 3.39Å; I675-F678 PolarHBondContact O-N 2.76Å; I675-Q679 VanDerWaalsContact O-CG 3.25Å; I675-Q679 WeakPolarHBondContact O-CG 3.39Å; I675-Q679 PolarHBondContact O-N 3.03Å
676E97.1Very high96.3Very high3 Ų325.9 Ų25.91%0.01414%0.142CC..Hα-helixtrans-66.9-39.7178.9-63.9175.581.100111.3S433 I434 T460 S673 N674 Q679 E680 K788 F789S433-E676 WeakPolarHBondContact CB-OE2 3.27Å; I434-E676 HydrophobicContact CD1-CG 4.43Å; T460-E676 WeakPolarHBondContact CB-OE1 3.33Å; T460-E676 WeakPolarHBondContact CG2-OE1 3.35Å; T460-E676 VanDerWaalsContact CG2-OE2 3.29Å; T460-E676 WeakPolarHBondContact CG2-OE2 3.39Å; T460-E676 PolarHBondContact OG1-OE1 2.69Å; T460-E676 PolarHBondContact OG1-OE2 3.22Å; S673-E676 PolarHBondContact O-N 3.39Å; N674-E676 VanDerWaalsContact C-N 3.29Å; N674-E676 PolarHBondContact O-N 3.01Å; E676-Q679 PolarHBondContact O-N 2.78Å; E676-E680 WeakPolarHBondContact O-CG 3.32Å; E676-E680 PolarHBondContact O-N 3.26Å; E676-K788 IonicContact OE1-NZ 3.44Å; E676-F789 HydrophobicContact CB-CE1 4.01Å; E676-F789 HydrophobicContact CB-CZ 4.09Å
677I97.3Very high96.3Very high0 Ų026 Ų260%014%0.143CC..Hα-helixtrans-59.7-49175.5-72.1169.4000110.6N656 M657 M660 S673 N674 Q679 E680 V681 F789N656-I677 HydrophobicContact CB-CD1 3.6Å; M657-I677 HydrophobicContact CG-CD1 4.37Å; M660-I677 HydrophobicContact CE-CG2 4.47Å; M660-I677 HydrophobicContact SD-CB 4.34Å; M660-I677 HydrophobicContact SD-CD1 4.44Å; M660-I677 HydrophobicContact SD-CG1 3.89Å; M660-I677 HydrophobicContact SD-CG2 3.81Å; S673-I677 WeakPolarHBondContact O-CG1 3.28Å; S673-I677 PolarHBondContact O-N 2.81Å; N674-I677 PolarHBondContact O-N 3.02Å; I677-Q679 VanDerWaalsContact C-N 3.28Å; I677-Q679 PolarHBondContact O-N 3.3Å; I677-E680 PolarHBondContact O-N 2.92Å; I677-E680 VanDerWaalsContact O-N 3.15Å; I677-V681 HydrophobicContact CG2-CG1 4.37Å; I677-V681 WeakPolarHBondContact O-CG1 3.04Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 3.39Å; I677-F789 HydrophobicContact CB-CE2 4.47Å; I677-F789 HydrophobicContact CB-CZ 4.27Å; I677-F789 HydrophobicContact CG1-CD2 4.38Å; I677-F789 HydrophobicContact CG1-CE1 4.06Å; I677-F789 HydrophobicContact CG1-CE2 3.7Å; I677-F789 HydrophobicContact CG1-CZ 3.52Å
678F97.4Very high96.3Very high1 Ų127.8 Ų27.80%0.00415%0.154CC..Hα-helixtrans-64.6-32.9-179.1-59.5-31.5000112.7T666 M670 N674 I675 G682 A686 V688T666-F678 HydrophobicContact CG2-CE1 3.84Å; T666-F678 HydrophobicContact CG2-CZ 4.03Å; M670-F678 HydrophobicContact SD-CD2 3.51Å; M670-F678 VanDerWaalsContact SD-CD2 3.51Å; M670-F678 HydrophobicContact SD-CE2 4.08Å; N674-F678 HydrophobicContact CB-CD2 4.28Å; N674-F678 HydrophobicContact CB-CE2 3.76Å; N674-F678 HydrophobicContact CB-CZ 4.03Å; N674-F678 WeakPolarHBondContact O-CB 3.47Å; N674-F678 WeakPolarHBondContact O-CD2 3.45Å; N674-F678 WeakPolarHBondContact O-CG 3.25Å; N674-F678 PolarHBondContact O-N 3.37Å; I675-F678 PolarHBondContact O-N 2.76Å; F678-G682 CarbonylContact O-C 3.49Å; F678-G682 VanDerWaalsContact O-CA 3.26Å; F678-G682 WeakPolarHBondContact O-CA 3.48Å; F678-G682 PolarHBondContact O-N 3.31Å; F678-A686 HydrophobicContact CD1-CB 3.43Å; F678-A686 VanDerWaalsContact CD1-CB 3.43Å; F678-A686 HydrophobicContact CE1-CB 3.5Å; F678-V688 HydrophobicContact CD1-CG2 4.31Å; F678-V688 HydrophobicContact CD2-CG2 3.73Å; F678-V688 HydrophobicContact CE1-CG2 4.33Å; F678-V688 HydrophobicContact CE2-CG1 4.36Å; F678-V688 HydrophobicContact CE2-CG2 3.72Å; F678-V688 HydrophobicContact CG-CG2 4.02Å; F678-V688 HydrophobicContact CZ-CG2 4.03Å
679Q96.8Very high96.3Very high117 Ų11728 Ų2855%0.54715%0.154SC..Hα-helixtrans-65.2-45.4171.4-73169.2-8.700112I675 E676 I677I675-Q679 VanDerWaalsContact O-CG 3.25Å; I675-Q679 WeakPolarHBondContact O-CG 3.39Å; I675-Q679 PolarHBondContact O-N 3.03Å; E676-Q679 PolarHBondContact O-N 2.78Å; I677-Q679 VanDerWaalsContact C-N 3.28Å; I677-Q679 PolarHBondContact O-N 3.3Å
680E96.7Very high96.3Very high64 Ų6429.1 Ų29.130%0.29917%0.166SC..Hα-helixtrans-70.8-39.1-178.2-65.7-58.414200113.1E676 I677 A785 K788 F789E676-E680 WeakPolarHBondContact O-CG 3.32Å; E676-E680 PolarHBondContact O-N 3.26Å; I677-E680 PolarHBondContact O-N 2.92Å; I677-E680 VanDerWaalsContact O-N 3.15Å; E680-A785 HydrophobicContact CB-CB 4.23Å; E680-A785 WeakPolarHBondContact O-CB 3.34Å; E680-K788 VanDerWaalsContact CD-CD 3.45Å; E680-K788 HydrophobicContact CG-CB 4.41Å; E680-K788 HydrophobicContact CG-CD 3.72Å; E680-K788 WeakPolarHBondContact OE1-CD 3.3Å; E680-K788 IonicContact OE1-NZ 2.88Å; E680-K788 PolarHBondContact OE1-NZ 2.94Å; E680-F789 HydrophobicContact CB-CE2 4.35Å; E680-F789 HydrophobicContact CG-CE2 4.05Å; E680-F789 HydrophobicContact CG-CZ 4.02Å
681V96.1Very high96.3Very high2 Ų228.2 Ų28.21%0.01216%0.159CC..Hα-helixtrans-84.6-22.8-179.5-53.10000113.1M660 I677 N685 A686 N782 A785M660-V681 HydrophobicContact CE-CG1 3.2Å; M660-V681 HydrophobicContact SD-CG1 4.36Å; I677-V681 HydrophobicContact CG2-CG1 4.37Å; I677-V681 WeakPolarHBondContact O-CG1 3.04Å; I677-V681 WeakPolarHBondContact O-CG2 3.37Å; I677-V681 PolarHBondContact O-N 3.39Å; V681-N685 HydrophobicContact CB-CB 4.25Å; V681-N685 HydrophobicContact CG2-CB 4.27Å; V681-N685 PolarHBondContact O-ND2 3.28Å; V681-A686 HydrophobicContact CG2-CB 4.31Å; V681-N782 HydrophobicContact CG1-CB 4.46Å; V681-A785 HydrophobicContact CG1-CB 3.96Å
682G95.1Very high96.3Very high27 Ų2731 Ų3128%0.27818%0.176SC..  trans78.5138.2-16800000112.5F678 S684 N685F678-G682 CarbonylContact O-C 3.49Å; F678-G682 VanDerWaalsContact O-CA 3.26Å; F678-G682 WeakPolarHBondContact O-CA 3.48Å; F678-G682 PolarHBondContact O-N 3.31Å; G682-S684 PolarHBondContact O-N 2.92Å; G682-N685 PolarHBondContact O-N 3.43Å
683H90.4Very high96.3Very high111 Ų11132.6 Ų32.651%0.51419%0.185SC..G310 helixtrans-55.3-26.2-173.3-73.9-79.2000115.3N685 A686H683-N685 PolarHBondContact O-N 2.91Å; H683-A686 PolarHBondContact O-N 3.45Å
684S94.4Very high96.2Very high92 Ų9238.6 Ų38.664%0.64321%0.213SC*.G310 helixtrans-70.7-11.4176.954.70000114.3G682G682-S684 PolarHBondContact O-N 2.92Å
685N97.8Very high96.2Very high27 Ų2743 Ų4314%0.14423%0.233CC..G310 helixtrans-108.314.3-178.5-59.6-63.9000113.5V681 G682 H683 M781 N782V681-N685 HydrophobicContact CB-CB 4.25Å; V681-N685 HydrophobicContact CG2-CB 4.27Å; V681-N685 PolarHBondContact O-ND2 3.28Å; G682-N685 PolarHBondContact O-N 3.43Å; H683-N685 PolarHBondContact O-N 2.91Å; N685-M781 HydrophobicContact CB-CG 4.38Å; N685-M781 WeakPolarHBondContact ND2-CG 3.29Å; N685-N782 PolarHBondContact O-ND2 3.48Å
686A97.6Very high96.2Very high9 Ų941.8 Ų41.87%0.07423%0.227CC..SBendtrans-145.9168.9176.700000111F678 V681 H683F678-A686 HydrophobicContact CD1-CB 3.43Å; F678-A686 VanDerWaalsContact CD1-CB 3.43Å; F678-A686 HydrophobicContact CE1-CB 3.5Å; V681-A686 HydrophobicContact CG2-CB 4.31Å; H683-A686 PolarHBondContact O-N 3.45Å
687F98.5Very high96Very high3 Ų345.6 Ų45.61%0.01325%0.247CC..EExtended strand (participates in β ladder)trans-115.688.5-178.9-53.1-82.4000109.8L640 L665 T666 I667 G668 E764 V765 A768 W775 M778L640-F687 HydrophobicContact CD1-CD2 4.03Å; L640-F687 HydrophobicContact CD1-CE2 4.21Å; L665-F687 HydrophobicContact CB-CD2 4.48Å; L665-F687 HydrophobicContact CB-CE2 3.95Å; L665-F687 HydrophobicContact CD1-CE2 3.83Å; L665-F687 HydrophobicContact CD1-CZ 4.23Å; T666-F687 PolarHBondContact O-N 2.96Å; I667-F687 WeakPolarHBondContact CA-O 3.36Å; I667-F687 HydrophobicContact CB-CB 4.09Å; I667-F687 HydrophobicContact CG1-CB 4.15Å; G668-F687 PolarHBondContact N-O 3.03Å; F687-E764 HydrophobicContact CD1-CB 4.02Å; F687-E764 HydrophobicContact CE1-CB 4.28Å; F687-V765 HydrophobicContact CB-CG2 4.06Å; F687-V765 HydrophobicContact CD1-CG2 3.75Å; F687-V765 HydrophobicContact CD2-CG2 3.52Å; F687-V765 HydrophobicContact CE1-CB 4.38Å; F687-V765 HydrophobicContact CE1-CG2 4.01Å; F687-V765 HydrophobicContact CE2-CB 4.42Å; F687-V765 HydrophobicContact CE2-CG1 4.48Å; F687-V765 HydrophobicContact CE2-CG2 3.78Å; F687-V765 HydrophobicContact CG-CG2 3.49Å; F687-V765 VanDerWaalsContact CG-CG2 3.49Å; F687-V765 HydrophobicContact CZ-CB 4.31Å; F687-V765 HydrophobicContact CZ-CG2 4.02Å; F687-A768 HydrophobicContact CE1-CB 3.95Å; F687-A768 HydrophobicContact CZ-CB 3.73Å; F687-W775 HydrophobicContact CE2-CZ3 4.24Å; F687-W775 HydrophobicContact CZ-CZ3 4.16Å; F687-M778 HydrophobicContact CE1-CE 4.21Å; F687-M778 HydrophobicContact CE2-CE 4.01Å; F687-M778 HydrophobicContact CZ-CE 3.67Å
688V97.8Very high95.9Very high38 Ų3852.9 Ų52.923%0.2328%0.276CS..EExtended strand (participates in β ladder)trans-83.2137.3-178.9-172.50000110.1G668 M670 F678 R760G668-V688 WeakPolarHBondContact O-CA 3.38Å; M670-V688 HydrophobicContact CG-CG1 3.75Å; M670-V688 HydrophobicContact SD-CG1 3.9Å; F678-V688 HydrophobicContact CD1-CG2 4.31Å; F678-V688 HydrophobicContact CD2-CG2 3.73Å; F678-V688 HydrophobicContact CE1-CG2 4.33Å; F678-V688 HydrophobicContact CE2-CG1 4.36Å; F678-V688 HydrophobicContact CE2-CG2 3.72Å; F678-V688 HydrophobicContact CG-CG2 4.02Å; F678-V688 HydrophobicContact CZ-CG2 4.03Å; V688-R760 PolarHBondContact O-NH2 3.46Å
689F98.2Very high95.9Very high4 Ų454 Ų542%0.01828%0.282CS..  trans-151.6172.9174.882.3-83.3000111.9L556 I644 I667 G668 T669 D754 D757 Y758 A761L556-F689 HydrophobicContact CD1-CE2 4.35Å; L556-F689 HydrophobicContact CD1-CZ 4.35Å; I644-F689 HydrophobicContact CB-CE1 4.24Å; I644-F689 HydrophobicContact CB-CZ 3.87Å; I644-F689 HydrophobicContact CG2-CE1 3.46Å; I644-F689 VanDerWaalsContact CG2-CE1 3.46Å; I644-F689 HydrophobicContact CG2-CZ 3.55Å; I667-F689 HydrophobicContact CD1-CD1 4.38Å; I667-F689 HydrophobicContact CD1-CE1 4.46Å; I667-F689 HydrophobicContact CG1-CD1 3.79Å; I667-F689 HydrophobicContact CG1-CE1 3.84Å; G668-F689 PolarHBondContact O-N 3.38Å; G668-F689 VanDerWaalsContact O-N 3.15Å; T669-F689 WeakPolarHBondContact CA-O 3.4Å; T669-F689 HydrophobicContact CG2-CE2 4.37Å; T669-F689 HydrophobicContact CG2-CZ 4.25Å; T669-F689 WeakPolarHBondContact CG2-O 3.43Å; F689-D754 HydrophobicContact CE2-CB 4.45Å; F689-D757 VanDerWaalsContact CA-OD2 3.24Å; F689-D757 WeakPolarHBondContact CA-OD2 3.35Å; F689-D757 VanDerWaalsContact CB-OD2 3.3Å; F689-D757 WeakPolarHBondContact CB-OD2 3.47Å; F689-Y758 HydrophobicContact CD1-CD2 4.2Å; F689-Y758 VanDerWaalsContact CD2-CA 3.49Å; F689-Y758 HydrophobicContact CD2-CD2 4.19Å; F689-Y758 HydrophobicContact CD2-CG 4.4Å; F689-Y758 AromaticContact CE1-CD2 3.66Å; F689-Y758 HydrophobicContact CE1-CD2 3.66Å; F689-Y758 HydrophobicContact CE1-CE2 4.27Å; F689-Y758 VanDerWaalsContact CE2-CB 3.48Å; F689-Y758 AromaticContact CE2-CD2 3.69Å; F689-Y758 HydrophobicContact CE2-CD2 3.69Å; F689-Y758 AromaticContact CE2-CG 3.94Å; F689-Y758 HydrophobicContact CE2-CG 3.94Å; F689-Y758 HydrophobicContact CG-CD2 4.43Å; F689-Y758 AromaticContact CZ-CD2 3.38Å; F689-Y758 HydrophobicContact CZ-CD2 3.38Å; F689-Y758 HydrophobicContact CZ-CE2 4.15Å; F689-Y758 HydrophobicContact CZ-CG 4.07Å; F689-A761 HydrophobicContact CB-CB 3.7Å; F689-A761 HydrophobicContact CD1-CB 4.36Å; F689-A761 HydrophobicContact CG-CB 4.24Å
690G97.3Very high95.7Very high24 Ų2453.1 Ų53.125%0.24727%0.274CS..SBendtrans86.1179.817400000112.2D757G690-D757 PolarHBondContact N-OD2 3.29Å
691R96.7Very high95.6Very high39 Ų3959 Ų5915%0.14730%0.299CS..  trans-73154.6-175.9-78.5159.9174.969.30.3113.8V647 E695 V696 Y709 A753 D754V647-R691 WeakPolarHBondContact CG2-O 3.32Å; R691-E695 WeakPolarHBondContact CA-OE2 3.4Å; R691-E695 HydrophobicContact CB-CB 3.98Å; R691-E695 HydrophobicContact CG-CB 4.07Å; R691-V696 HydrophobicContact CB-CG2 3.9Å; R691-Y709 PolarHBondContact NH2-OH 2.76Å; R691-Y709 VanDerWaalsContact NH2-OH 3.11Å; R691-A753 VanDerWaalsContact CZ-CB 3.41Å; R691-A753 PolarHBondContact NH1-O 2.9Å; R691-A753 PolarHBondContact NH2-O 2.84Å; R691-D754 WeakPolarHBondContact CD-OD1 3.28Å; R691-D754 WeakPolarHBondContact CG-OD1 3.47Å; R691-D754 IonicContact CZ-OD1 3.78Å; R691-D754 PolarHBondContact N-OD1 2.85Å; R691-D754 IonicContact NH1-OD1 2.76Å; R691-D754 PolarHBondContact NH1-OD1 3.44Å
692T95.8Very high95.6Very high59 Ų5962.7 Ų62.736%0.36232%0.321SS..  trans-75.9166.8165.683.80000111.4E694 E695 V696T692-E694 VanDerWaalsContact C-N 3.25Å; T692-E694 VanDerWaalsContact CB-OE2 3.25Å; T692-E694 WeakPolarHBondContact CB-OE2 3.25Å; T692-E694 PolarHBondContact O-N 3.01Å; T692-E694 PolarHBondContact OG1-N 2.95Å; T692-E694 PolarHBondContact OG1-OE2 3.29Å; T692-E695 PolarHBondContact N-OE2 3.07Å; T692-E695 PolarHBondContact O-N 3.46Å; T692-E695 PolarHBondContact OG1-N 3.23Å; T692-V696 WeakPolarHBondContact O-CG2 3.26Å; T692-V696 PolarHBondContact O-N 3.48Å
693I91.9Very high95.5Very high35 Ų3564 Ų6418%0.17933%0.334CS..Hα-helixtrans-63.2-34.7177-171.862.1000111.6F435 V647 V696 N697F435-I693 HydrophobicContact CE2-CB 4.46Å; F435-I693 HydrophobicContact CE2-CG2 4.35Å; F435-I693 HydrophobicContact CZ-CB 4.33Å; F435-I693 HydrophobicContact CZ-CD1 4.33Å; F435-I693 HydrophobicContact CZ-CG1 4.15Å; V647-I693 HydrophobicContact CG1-CB 3.77Å; V647-I693 HydrophobicContact CG1-CD1 4.03Å; V647-I693 HydrophobicContact CG1-CG1 4.47Å; I693-V696 PolarHBondContact O-N 3.19Å; I693-N697 WeakPolarHBondContact O-CB 3.31Å; I693-N697 PolarHBondContact O-N 2.91Å; I693-N697 PolarHBondContact O-ND2 3.36Å
694E94.5Very high95.8Very high126 Ų12660.5 Ų60.559%0.58932%0.317SS*.Hα-helixtrans-64.3-43.5176.1-60.672.3-154.800111T692 N697 Y698T692-E694 VanDerWaalsContact C-N 3.25Å; T692-E694 VanDerWaalsContact CB-OE2 3.25Å; T692-E694 WeakPolarHBondContact CB-OE2 3.25Å; T692-E694 PolarHBondContact O-N 3.01Å; T692-E694 PolarHBondContact OG1-N 2.95Å; T692-E694 PolarHBondContact OG1-OE2 3.29Å; E694-N697 PolarHBondContact O-N 2.82Å; E694-Y698 VanDerWaalsContact O-CB 3.3Å; E694-Y698 WeakPolarHBondContact O-CB 3.49Å; E694-Y698 PolarHBondContact O-N 3.44Å
695E96.9Very high95.9Very high95 Ų9559.4 Ų59.444%0.44430%0.304SS..Hα-helixtrans-67.4-41.6177.8-67.3176.1142.900112R691 T692 Y698 L699R691-E695 WeakPolarHBondContact CA-OE2 3.4Å; R691-E695 HydrophobicContact CB-CB 3.98Å; R691-E695 HydrophobicContact CG-CB 4.07Å; T692-E695 PolarHBondContact N-OE2 3.07Å; T692-E695 PolarHBondContact O-N 3.46Å; T692-E695 PolarHBondContact OG1-N 3.23Å; E695-Y698 PolarHBondContact O-N 3.5Å; E695-L699 WeakPolarHBondContact O-CG 3.37Å; E695-L699 PolarHBondContact O-N 2.76Å
696V95.3Very high95.9Very high1 Ų158.2 Ų58.21%0.00630%0.298CS..Hα-helixtrans-59.3-48.2173.7169.90000110.3V647 R691 T692 I693 Y698 L699 R700 M750V647-V696 HydrophobicContact CB-CG2 4.27Å; R691-V696 HydrophobicContact CB-CG2 3.9Å; T692-V696 WeakPolarHBondContact O-CG2 3.26Å; T692-V696 PolarHBondContact O-N 3.48Å; I693-V696 PolarHBondContact O-N 3.19Å; V696-Y698 VanDerWaalsContact C-N 3.35Å; V696-Y698 PolarHBondContact O-N 3.02Å; V696-L699 PolarHBondContact O-N 3.11Å; V696-R700 WeakPolarHBondContact O-CG 3.44Å; V696-R700 PolarHBondContact O-N 2.86Å; V696-M750 HydrophobicContact CB-CE 4.4Å; V696-M750 HydrophobicContact CB-SD 4.29Å; V696-M750 HydrophobicContact CG1-CE 3.88Å; V696-M750 HydrophobicContact CG1-SD 4.11Å; V696-M750 HydrophobicContact CG2-SD 3.95Å; V696-M750 WeakPolarHBondContact O-CE 3.27Å
697N93Very high95.8Very high83 Ų8361.4 Ų61.444%0.44431%0.312SS..Hα-helixtrans-64.6-39.9179.2-72.7-25.1000112I693 E694 R700 K701I693-N697 WeakPolarHBondContact O-CB 3.31Å; I693-N697 PolarHBondContact O-N 2.91Å; I693-N697 PolarHBondContact O-ND2 3.36Å; E694-N697 PolarHBondContact O-N 2.82Å; N697-R700 PolarHBondContact O-N 3.31Å; N697-K701 VanDerWaalsContact O-CB 3.3Å; N697-K701 WeakPolarHBondContact O-CB 3.26Å; N697-K701 PolarHBondContact O-N 3.28Å
698Y96.5Very high95.8Very high153 Ų15370.2 Ų70.260%0.635%0.345SS*.Hα-helixtrans-60.7-47.4175.8177.5-97.5000111.7E694 E695 V696 K701 T702E694-Y698 VanDerWaalsContact O-CB 3.3Å; E694-Y698 WeakPolarHBondContact O-CB 3.49Å; E694-Y698 PolarHBondContact O-N 3.44Å; E695-Y698 PolarHBondContact O-N 3.5Å; V696-Y698 VanDerWaalsContact C-N 3.35Å; V696-Y698 PolarHBondContact O-N 3.02Å; Y698-K701 PolarHBondContact O-N 2.92Å; Y698-T702 HydrophobicContact CD1-CG2 4.48Å; Y698-T702 HydrophobicContact CD2-CG2 4.07Å; Y698-T702 HydrophobicContact CE1-CG2 4.12Å; Y698-T702 HydrophobicContact CE2-CG2 3.69Å; Y698-T702 HydrophobicContact CG-CG2 4.45Å; Y698-T702 WeakPolarHBondContact O-CB 3.38Å; Y698-T702 WeakPolarHBondContact O-CG2 3.24Å; Y698-T702 PolarHBondContact O-N 2.84Å; Y698-T702 PolarHBondContact O-OG1 2.79Å
699L96Very high95.7Very high25 Ų2571.3 Ų71.313%0.13135%0.345CS..Hα-helixtrans-63.8-43178.1-74.3178.5000112.3E695 V696 K701 T702 G703 Y704 M750E695-L699 WeakPolarHBondContact O-CG 3.37Å; E695-L699 PolarHBondContact O-N 2.76Å; V696-L699 PolarHBondContact O-N 3.11Å; L699-K701 VanDerWaalsContact C-N 3.33Å; L699-K701 PolarHBondContact O-N 2.93Å; L699-T702 PolarHBondContact O-N 3.32Å; L699-G703 CarbonylContact O-C 3.08Å; L699-G703 PolarHBondContact O-N 3.4Å; L699-G703 VanDerWaalsContact O-N 3.13Å; L699-Y704 HydrophobicContact CB-CD2 4.45Å; L699-Y704 HydrophobicContact CD1-CD2 4.28Å; L699-Y704 PolarHBondContact O-N 3.18Å; L699-M750 HydrophobicContact CB-CE 3.79Å; L699-M750 HydrophobicContact CD1-CE 4.37Å; L699-M750 HydrophobicContact CD1-SD 4.15Å
700R93.2Very high95.7Very high98 Ų9871.5 Ų71.537%0.3735%0.346SS..Hα-helixtrans-60-44.1175.3-73.9178.6175.6168.51.2111.6V696 N697 M750V696-R700 WeakPolarHBondContact O-CG 3.44Å; V696-R700 PolarHBondContact O-N 2.86Å; N697-R700 PolarHBondContact O-N 3.31Å; R700-M750 HydrophobicContact CG-CE 3.77Å
701K94.6Very high95.7Very high189 Ų18973.9 Ų73.982%0.82236%0.36SS*.Hα-helixtrans-69.5-36.1-179-173.5176.9179.8179.70113.4N697 Y698 L699N697-K701 VanDerWaalsContact O-CB 3.3Å; N697-K701 WeakPolarHBondContact O-CB 3.26Å; N697-K701 PolarHBondContact O-N 3.28Å; Y698-K701 PolarHBondContact O-N 2.92Å; L699-K701 VanDerWaalsContact C-N 3.33Å; L699-K701 PolarHBondContact O-N 2.93Å
702T95.4Very high95.8Very high79 Ų7976.4 Ų76.449%0.48538%0.383SS..Hα-helixtrans-90-5.1-175.6540000114.2Y698 L699Y698-T702 HydrophobicContact CD1-CG2 4.48Å; Y698-T702 HydrophobicContact CD2-CG2 4.07Å; Y698-T702 HydrophobicContact CE1-CG2 4.12Å; Y698-T702 HydrophobicContact CE2-CG2 3.69Å; Y698-T702 HydrophobicContact CG-CG2 4.45Å; Y698-T702 WeakPolarHBondContact O-CB 3.38Å; Y698-T702 WeakPolarHBondContact O-CG2 3.24Å; Y698-T702 PolarHBondContact O-N 2.84Å; Y698-T702 PolarHBondContact O-OG1 2.79Å; L699-T702 PolarHBondContact O-N 3.32Å
703G93.8Very high95.9Very high54 Ų5475 Ų7556%0.55737%0.373SS*.THydrogen-bonded Turntrans91.680.9-177.800000111.7L699 N705L699-G703 CarbonylContact O-C 3.08Å; L699-G703 PolarHBondContact O-N 3.4Å; L699-G703 VanDerWaalsContact O-N 3.13Å; G703-N705 PolarHBondContact O-N 2.9Å
704Y96.4Very high96.2Very high38 Ų3878.2 Ų78.215%0.14940%0.397CS..  trans-58.3128.2174.4173-119.6000111L699 P706 Y709 D747 M750 A753L699-Y704 HydrophobicContact CB-CD2 4.45Å; L699-Y704 HydrophobicContact CD1-CD2 4.28Å; L699-Y704 PolarHBondContact O-N 3.18Å; Y704-P706 HydrophobicContact CD1-CG 4.29Å; Y704-P706 HydrophobicContact CE1-CB 4.37Å; Y704-P706 HydrophobicContact CE1-CG 3.65Å; Y704-Y709 HydrophobicContact CD2-CE2 4.01Å; Y704-Y709 AromaticContact CE2-CD2 3.78Å; Y704-Y709 HydrophobicContact CE2-CD2 3.78Å; Y704-Y709 AromaticContact CE2-CE2 3.46Å; Y704-Y709 HydrophobicContact CE2-CE2 3.46Å; Y704-Y709 VanDerWaalsContact CE2-CE2 3.46Å; Y704-D747 HydrophobicContact CE1-CB 3.9Å; Y704-D747 VanDerWaalsContact CE1-O 3.31Å; Y704-D747 WeakPolarHBondContact CE1-O 3.3Å; Y704-D747 PolarHBondContact OH-OD2 3.14Å; Y704-M750 HydrophobicContact CE1-CG 4.26Å; Y704-M750 HydrophobicContact CE2-CG 4.5Å; Y704-A753 HydrophobicContact CE2-CB 3.72Å; Y704-A753 PolarHBondContact OH-N 3.4Å
705N96.5Very high96.4Very high69 Ų6975.5 Ų75.537%0.36938%0.384SS..  trans-124.2105.6177.1-178.2-10.5000110.2G703 M707 R708G703-N705 PolarHBondContact O-N 2.9Å; N705-M707 VanDerWaalsContact C-N 3.25Å; N705-M707 PolarHBondContact O-N 3.35Å; N705-M707 WeakPolarHBondContact OD1-CB 3.41Å; N705-M707 PolarHBondContact OD1-N 2.79Å; N705-R708 HydrophobicContact CB-CG 4.34Å; N705-R708 PolarHBondContact O-N 2.94Å
706P97.3Very high96.5Very high2 Ų271 Ų711%0.01336%0.363CS..Hα-helixtrans-59.3-34.8-179.4-19.929.7000112.9Y704 R708 Y709 I710 L743 D747 C752Y704-P706 HydrophobicContact CD1-CG 4.29Å; Y704-P706 HydrophobicContact CE1-CB 4.37Å; Y704-P706 HydrophobicContact CE1-CG 3.65Å; P706-R708 PolarHBondContact O-N 3.44Å; P706-R708 VanDerWaalsContact O-N 3.14Å; P706-Y709 WeakPolarHBondContact O-CB 3.4Å; P706-Y709 PolarHBondContact O-N 2.79Å; P706-I710 HydrophobicContact CB-CD1 4.3Å; P706-I710 WeakPolarHBondContact O-CG1 3.49Å; P706-I710 PolarHBondContact O-N 2.89Å; P706-I710 VanDerWaalsContact O-N 3.08Å; P706-L743 VanDerWaalsContact CB-O 3.22Å; P706-L743 WeakPolarHBondContact CB-O 3.35Å; P706-D747 HydrophobicContact CB-CB 4.23Å; P706-D747 HydrophobicContact CG-CB 3.83Å; P706-C752 HydrophobicContact CB-CB 4.4Å
707M97.1Very high96.6Very high76 Ų7677.4 Ų77.437%0.37439%0.387SS..Hα-helixtrans-61.9-25.9-176.5-72.2-60.6-6200113.6N705 I710 S711 V744N705-M707 VanDerWaalsContact C-N 3.25Å; N705-M707 PolarHBondContact O-N 3.35Å; N705-M707 WeakPolarHBondContact OD1-CB 3.41Å; N705-M707 PolarHBondContact OD1-N 2.79Å; M707-I710 HydrophobicContact SD-CD1 3.98Å; M707-S711 WeakPolarHBondContact O-CB 3.36Å; M707-S711 PolarHBondContact O-N 2.78Å; M707-S711 PolarHBondContact O-OG 2.83Å; M707-V744 HydrophobicContact SD-CB 3.85Å; M707-V744 HydrophobicContact SD-CG1 4.28Å
708R96.6Very high96.9Very high188 Ų18877.3 Ų77.371%0.70939%0.386SS*.Hα-helixtrans-63.1-44.9173.7-71.4-174.4175.4179.10.3111.1N705 P706 S712N705-R708 HydrophobicContact CB-CG 4.34Å; N705-R708 PolarHBondContact O-N 2.94Å; P706-R708 PolarHBondContact O-N 3.44Å; P706-R708 VanDerWaalsContact O-N 3.14Å; R708-S712 WeakPolarHBondContact O-CB 3.46Å; R708-S712 PolarHBondContact O-N 2.98Å; R708-S712 VanDerWaalsContact O-N 3.17Å; R708-S712 PolarHBondContact O-OG 2.8Å
709Y97.7Very high97Very high60 Ų6070 Ų7024%0.23536%0.357CS..Hα-helixtrans-68.8-44.7179.3-62.2-78.7000111.2R691 Y704 P706 S711 S712 N713 A753R691-Y709 PolarHBondContact NH2-OH 2.76Å; R691-Y709 VanDerWaalsContact NH2-OH 3.11Å; Y704-Y709 HydrophobicContact CD2-CE2 4.01Å; Y704-Y709 AromaticContact CE2-CD2 3.78Å; Y704-Y709 HydrophobicContact CE2-CD2 3.78Å; Y704-Y709 AromaticContact CE2-CE2 3.46Å; Y704-Y709 HydrophobicContact CE2-CE2 3.46Å; Y704-Y709 VanDerWaalsContact CE2-CE2 3.46Å; P706-Y709 WeakPolarHBondContact O-CB 3.4Å; P706-Y709 PolarHBondContact O-N 2.79Å; Y709-S711 PolarHBondContact O-N 3.23Å; Y709-S712 PolarHBondContact O-N 3.32Å; Y709-S712 PolarHBondContact O-OG 3.19Å; Y709-N713 WeakPolarHBondContact O-CB 3.39Å; Y709-N713 PolarHBondContact O-N 3.46Å; Y709-A753 HydrophobicContact CD1-CB 4.46Å; Y709-A753 HydrophobicContact CD2-CB 4.22Å; Y709-A753 HydrophobicContact CE1-CB 4.37Å; Y709-A753 HydrophobicContact CE2-CB 4.11Å; Y709-A753 HydrophobicContact CG-CB 4.39Å
710I98.2Very high97.1Very high8 Ų868.9 Ų68.94%0.04135%0.351CS..Hα-helixtrans-61.7-46.9178.3-60.8165.9000111P706 M707 S712 N713 L716 R717 L720 V744 C752P706-I710 HydrophobicContact CB-CD1 4.3Å; P706-I710 WeakPolarHBondContact O-CG1 3.49Å; P706-I710 PolarHBondContact O-N 2.89Å; P706-I710 VanDerWaalsContact O-N 3.08Å; M707-I710 HydrophobicContact SD-CD1 3.98Å; I710-S712 VanDerWaalsContact C-N 3.27Å; I710-S712 PolarHBondContact O-N 2.98Å; I710-N713 PolarHBondContact O-N 3.21Å; I710-N713 VanDerWaalsContact O-O 3.14Å; I710-L716 HydrophobicContact CG1-CD2 4.04Å; I710-L716 HydrophobicContact CG1-CG 4.42Å; I710-R717 HydrophobicContact CG2-CB 4.03Å; I710-R717 HydrophobicContact CG2-CG 4.28Å; I710-L720 HydrophobicContact CD1-CD1 3.55Å; I710-L720 HydrophobicContact CG1-CD1 3.68Å; I710-L720 HydrophobicContact CG2-CD1 4.15Å; I710-V744 HydrophobicContact CD1-CB 4.21Å; I710-V744 HydrophobicContact CD1-CG1 3.74Å; I710-C752 HydrophobicContact CG1-CB 4.24Å
711S97.1Very high97.3Very high75 Ų7565.8 Ų65.852%0.52434%0.342SS..Hα-helixtrans-67.2-29.5-178.5-55.70000112.7M707 Y709M707-S711 WeakPolarHBondContact O-CB 3.36Å; M707-S711 PolarHBondContact O-N 2.78Å; M707-S711 PolarHBondContact O-OG 2.83Å; Y709-S711 PolarHBondContact O-N 3.23Å
712S97.4Very high97.5Very high91 Ų9158 Ų5864%0.63631%0.309SS*.Hα-helixtrans-81.7-12.1178.170.60000114.3R708 Y709 I710R708-S712 WeakPolarHBondContact O-CB 3.46Å; R708-S712 PolarHBondContact O-N 2.98Å; R708-S712 VanDerWaalsContact O-N 3.17Å; R708-S712 PolarHBondContact O-OG 2.8Å; Y709-S712 PolarHBondContact O-N 3.32Å; Y709-S712 PolarHBondContact O-OG 3.19Å; I710-S712 VanDerWaalsContact C-N 3.27Å; I710-S712 PolarHBondContact O-N 2.98Å
713N98.5Very high97.6Very high30 Ų3054.3 Ų54.316%0.1629%0.286CS..  trans-126.798.4-174.6-170-46.5000110.9Y709 I710 E715 L716 R717Y709-N713 WeakPolarHBondContact O-CB 3.39Å; Y709-N713 PolarHBondContact O-N 3.46Å; I710-N713 PolarHBondContact O-N 3.21Å; I710-N713 VanDerWaalsContact O-O 3.14Å; N713-E715 VanDerWaalsContact C-N 3.29Å; N713-E715 PolarHBondContact O-N 3.48Å; N713-E715 PolarHBondContact OD1-N 3.4Å; N713-L716 HydrophobicContact CB-CB 3.94Å; N713-L716 PolarHBondContact O-N 3.35Å; N713-L716 PolarHBondContact OD1-N 2.95Å; N713-R717 PolarHBondContact O-N 3.4Å
714P98.4Very high97.8Very high103 Ų10355.1 Ų55.167%0.66927%0.272SS*.Hα-helixtrans-59.7-34.5-177.5-26.335000114.3R717 L718P714-R717 PolarHBondContact O-N 3.03Å; P714-L718 WeakPolarHBondContact O-CB 3.41Å; P714-L718 PolarHBondContact O-N 2.85Å
715E98.4Very high97.8Very high68 Ų6857.9 Ų57.932%0.31829%0.29SS..Hα-helixtrans-68.3-46.8178.4-64-170.3117.800111T563 R567 N713 R717 L718 C719T563-E715 HydrophobicContact CG2-CB 4.29Å; R567-E715 IonicContact CZ-OE1 3.16Å; R567-E715 VanDerWaalsContact CZ-OE1 3.31Å; R567-E715 IonicContact CZ-OE2 3.49Å; R567-E715 IonicContact NE-OE1 2.76Å; R567-E715 PolarHBondContact NE-OE1 3.31Å; R567-E715 IonicContact NE-OE2 3.53Å; R567-E715 VanDerWaalsContact NH2-CD 3.31Å; R567-E715 IonicContact NH2-OE1 3.85Å; R567-E715 PolarHBondContact NH2-OE1 3.31Å; R567-E715 IonicContact NH2-OE2 2.79Å; R567-E715 PolarHBondContact NH2-OE2 3.46Å; N713-E715 VanDerWaalsContact C-N 3.29Å; N713-E715 PolarHBondContact O-N 3.48Å; N713-E715 PolarHBondContact OD1-N 3.4Å; E715-R717 VanDerWaalsContact C-N 3.3Å; E715-R717 PolarHBondContact O-N 2.83Å; E715-L718 PolarHBondContact O-N 3.23Å; E715-C719 PolarHBondContact O-N 2.89Å; E715-C719 PolarHBondContact O-SG 3.46Å
716L98.7Very high97.7Very high1 Ų154.8 Ų54.81%0.00527%0.274CS..Hα-helixtrans-58.4-45.7175.1177.756.9000111L559 I710 N713 L718 C719 L720 C752 Y755L559-L716 HydrophobicContact CD1-CD1 4.24Å; I710-L716 HydrophobicContact CG1-CD2 4.04Å; I710-L716 HydrophobicContact CG1-CG 4.42Å; N713-L716 HydrophobicContact CB-CB 3.94Å; N713-L716 PolarHBondContact O-N 3.35Å; N713-L716 PolarHBondContact OD1-N 2.95Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 2.97Å; L716-C719 PolarHBondContact O-N 2.6Å; L716-L720 HydrophobicContact CD1-CD1 4.09Å; L716-L720 HydrophobicContact CD1-CG 4.08Å; L716-L720 HydrophobicContact CG-CD1 4.16Å; L716-L720 WeakPolarHBondContact O-CG 3.24Å; L716-L720 PolarHBondContact O-N 2.89Å; L716-C752 HydrophobicContact CD2-CB 4.06Å; L716-Y755 HydrophobicContact CB-CD1 3.72Å; L716-Y755 HydrophobicContact CB-CE1 3.67Å; L716-Y755 HydrophobicContact CB-CG 4.32Å; L716-Y755 HydrophobicContact CD1-CD1 4.16Å; L716-Y755 HydrophobicContact CD1-CD2 3.93Å; L716-Y755 HydrophobicContact CD1-CE1 4.48Å; L716-Y755 HydrophobicContact CD1-CE2 4.27Å; L716-Y755 HydrophobicContact CD1-CG 3.87Å; L716-Y755 HydrophobicContact CD2-CD1 4.1Å; L716-Y755 HydrophobicContact CD2-CG 4.2Å; L716-Y755 HydrophobicContact CG-CD1 4.2Å; L716-Y755 HydrophobicContact CG-CG 4.35Å
717R98.5Very high97.7Very high135 Ų13559.1 Ų59.151%0.50929%0.291SS..Hα-helixtrans-57.5-46.8177.6-179.2174.4177.41661.3111.5I710 N713 P714 E715 C719 L720 D721I710-R717 HydrophobicContact CG2-CB 4.03Å; I710-R717 HydrophobicContact CG2-CG 4.28Å; N713-R717 PolarHBondContact O-N 3.4Å; P714-R717 PolarHBondContact O-N 3.03Å; E715-R717 VanDerWaalsContact C-N 3.3Å; E715-R717 PolarHBondContact O-N 2.83Å; R717-C719 PolarHBondContact O-N 2.84Å; R717-L720 PolarHBondContact O-N 2.93Å; R717-D721 WeakPolarHBondContact CG-OD2 3.32Å; R717-D721 IonicContact NE-OD2 3.26Å; R717-D721 WeakPolarHBondContact O-CB 3.47Å; R717-D721 VanDerWaalsContact O-CG 3.26Å; R717-D721 PolarHBondContact O-N 2.83Å
718L98.5Very high97.6Very high82 Ų8255.6 Ų55.643%0.42927%0.273SS..Hα-helixtrans-59.7-45177.6178.661.3000111.9N566 P714 E715 L716 L720 D721 Q722N566-L718 HydrophobicContact CB-CD2 4.18Å; P714-L718 WeakPolarHBondContact O-CB 3.41Å; P714-L718 PolarHBondContact O-N 2.85Å; E715-L718 PolarHBondContact O-N 3.23Å; L716-L718 VanDerWaalsContact C-N 3.33Å; L716-L718 PolarHBondContact O-N 2.97Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.31Å; L718-D721 PolarHBondContact O-N 3.45Å; L718-Q722 HydrophobicContact CD1-CG 4.32Å; L718-Q722 WeakPolarHBondContact O-CG 3.42Å; L718-Q722 PolarHBondContact O-N 2.86Å
719C98.6Very high97.6Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-58.8-46177.4-59.60000111.5L559 I562 T563 E715 L716 R717 Q722 I723L559-C719 HydrophobicContact CD2-CB 3.81Å; I562-C719 HydrophobicContact CB-CB 4.46Å; I562-C719 HydrophobicContact CG2-CB 3.81Å; I562-C719 VanDerWaalsContact CG2-SG 3.51Å; T563-C719 PolarHBondContact OG1-SG 3.33Å; E715-C719 PolarHBondContact O-N 2.89Å; E715-C719 PolarHBondContact O-SG 3.46Å; L716-C719 PolarHBondContact O-N 2.6Å; R717-C719 PolarHBondContact O-N 2.84Å; C719-Q722 PolarHBondContact O-N 2.87Å; C719-I723 VanDerWaalsContact O-CG1 3.3Å; C719-I723 WeakPolarHBondContact O-CG1 3.43Å; C719-I723 PolarHBondContact O-N 2.98Å; C719-I723 VanDerWaalsContact O-N 3.13Å
720L98.4Very high97.4Very high1 Ų148.1 Ų48.11%0.00526%0.256CS..Hα-helixtrans-70.3-37.1-179.7-64.5-179.5000112.6L559 I710 L716 R717 L718 I723 R724 Y740 L743L559-L720 HydrophobicContact CD2-CD2 4.27Å; I710-L720 HydrophobicContact CD1-CD1 3.55Å; I710-L720 HydrophobicContact CG1-CD1 3.68Å; I710-L720 HydrophobicContact CG2-CD1 4.15Å; L716-L720 HydrophobicContact CD1-CD1 4.09Å; L716-L720 HydrophobicContact CD1-CG 4.08Å; L716-L720 HydrophobicContact CG-CD1 4.16Å; L716-L720 WeakPolarHBondContact O-CG 3.24Å; L716-L720 PolarHBondContact O-N 2.89Å; R717-L720 PolarHBondContact O-N 2.93Å; L718-L720 VanDerWaalsContact C-N 3.33Å; L718-L720 PolarHBondContact O-N 3.31Å; L720-I723 HydrophobicContact CD2-CD1 4.41Å; L720-I723 PolarHBondContact O-N 2.87Å; L720-R724 WeakPolarHBondContact O-CB 3.39Å; L720-R724 PolarHBondContact O-N 2.97Å; L720-Y740 HydrophobicContact CB-CD2 4.03Å; L720-Y740 HydrophobicContact CB-CE2 3.87Å; L720-Y740 VanDerWaalsContact O-CD2 3.31Å; L720-Y740 WeakPolarHBondContact O-CD2 2.99Å; L720-L743 HydrophobicContact CD2-CD1 3.86Å
721D98Very high97.2Very high33 Ų3354.8 Ų54.818%0.17629%0.292CS..Hα-helixtrans-63.4-43.6174.9-73.9-22.7000110.5R717 L718 I723 R724 D725R717-D721 WeakPolarHBondContact CG-OD2 3.32Å; R717-D721 IonicContact NE-OD2 3.26Å; R717-D721 WeakPolarHBondContact O-CB 3.47Å; R717-D721 VanDerWaalsContact O-CG 3.26Å; R717-D721 PolarHBondContact O-N 2.83Å; L718-D721 PolarHBondContact O-N 3.45Å; D721-I723 VanDerWaalsContact C-N 3.32Å; D721-I723 PolarHBondContact O-N 3.1Å; D721-R724 PolarHBondContact O-N 2.89Å; D721-R724 VanDerWaalsContact O-N 3.17Å; D721-R724 IonicContact OD1-CZ 2.91Å; D721-R724 VanDerWaalsContact OD1-CZ 3.26Å; D721-R724 IonicContact OD1-NH1 3.22Å; D721-R724 PolarHBondContact OD1-NH1 3.09Å; D721-R724 IonicContact OD1-NH2 2.66Å; D721-R724 PolarHBondContact OD1-NH2 3.09Å; D721-D725 WeakPolarHBondContact O-CB 3.46Å; D721-D725 PolarHBondContact O-N 3.14Å
722Q98.1Very high97.1Very high25 Ų2555.9 Ų55.912%0.11729%0.289CS..Hα-helixtrans-60.7-38.6174-74.7173-35.900113N566 L718 C719 Y727 Y728N566-Q722 PolarHBondContact ND2-OE1 2.95Å; N566-Q722 PolarHBondContact OD1-NE2 3.22Å; N566-Q722 PolarHBondContact OD1-OE1 2.9Å; L718-Q722 HydrophobicContact CD1-CG 4.32Å; L718-Q722 WeakPolarHBondContact O-CG 3.42Å; L718-Q722 PolarHBondContact O-N 2.86Å; C719-Q722 PolarHBondContact O-N 2.87Å; Q722-Y727 HydrophobicContact CB-CG 4.36Å; Q722-Y727 HydrophobicContact CG-CG 4.32Å; Q722-Y727 VanDerWaalsContact O-CB 3.25Å; Q722-Y727 WeakPolarHBondContact O-CB 3.38Å; Q722-Y727 PolarHBondContact O-N 3.04Å; Q722-Y728 HydrophobicContact CB-CE2 3.8Å; Q722-Y728 PolarHBondContact OE1-OH 2.64Å; Q722-Y728 VanDerWaalsContact OE1-OH 3.09Å
723I97.9Very high97Very high1 Ų154.5 Ų54.51%0.00528%0.278CS..Hα-helixtrans-65.3-43.9175.1-68.4167.2000110.5L559 I562 L600 C719 L720 D721 Y728 F736L559-I723 HydrophobicContact CD2-CD1 4.03Å; I562-I723 HydrophobicContact CD1-CD1 4.01Å; I562-I723 HydrophobicContact CD1-CG1 4.23Å; L600-I723 HydrophobicContact CD1-CG1 4.18Å; L600-I723 HydrophobicContact CD1-CG2 4.48Å; L600-I723 HydrophobicContact CD2-CD1 3.98Å; L600-I723 HydrophobicContact CD2-CG1 4.39Å; C719-I723 VanDerWaalsContact O-CG1 3.3Å; C719-I723 WeakPolarHBondContact O-CG1 3.43Å; C719-I723 PolarHBondContact O-N 2.98Å; C719-I723 VanDerWaalsContact O-N 3.13Å; L720-I723 HydrophobicContact CD2-CD1 4.41Å; L720-I723 PolarHBondContact O-N 2.87Å; D721-I723 VanDerWaalsContact C-N 3.32Å; D721-I723 PolarHBondContact O-N 3.1Å; I723-Y728 HydrophobicContact CG1-CD2 4.12Å; I723-Y728 HydrophobicContact CG1-CE2 3.98Å; I723-F736 HydrophobicContact CG2-CB 3.62Å; I723-F736 HydrophobicContact CG2-CG 4.34Å
724R97Very high96.9Very high71 Ų7157.5 Ų57.527%0.26829%0.294SS..Hα-helixtrans-64.8-43.3179.3-177.2-168.766.8-135.3-12.3112.6L720 D721 G726 Y740L720-R724 WeakPolarHBondContact O-CB 3.39Å; L720-R724 PolarHBondContact O-N 2.97Å; D721-R724 PolarHBondContact O-N 2.89Å; D721-R724 VanDerWaalsContact O-N 3.17Å; D721-R724 IonicContact OD1-CZ 2.91Å; D721-R724 VanDerWaalsContact OD1-CZ 3.26Å; D721-R724 IonicContact OD1-NH1 3.22Å; D721-R724 PolarHBondContact OD1-NH1 3.09Å; D721-R724 IonicContact OD1-NH2 2.66Å; D721-R724 PolarHBondContact OD1-NH2 3.09Å; R724-G726 PolarHBondContact O-N 3.3Å; R724-Y740 HydrophobicContact CB-CD1 4.17Å; R724-Y740 HydrophobicContact CB-CD2 3.77Å; R724-Y740 HydrophobicContact CB-CE1 4.41Å; R724-Y740 HydrophobicContact CB-CE2 4.01Å; R724-Y740 HydrophobicContact CB-CG 3.84Å; R724-Y740 HydrophobicContact CG-CD1 3.96Å; R724-Y740 HydrophobicContact CG-CD2 4.44Å; R724-Y740 HydrophobicContact CG-CE1 4.08Å; R724-Y740 HydrophobicContact CG-CG 4.15Å; R724-Y740 PolarHBondContact NH1-OH 3.11Å
725D96.2Very high96.9Very high97 Ų9754 Ų5452%0.51927%0.269SS..THydrogen-bonded Turntrans-87.812.7-166.9-62.4-23.1000113.1D721 Y727D721-D725 WeakPolarHBondContact O-CB 3.46Å; D721-D725 PolarHBondContact O-N 3.14Å; D725-Y727 VanDerWaalsContact C-N 3.33Å; D725-Y727 PolarHBondContact O-N 3.22Å
726G94.9Very high96.9Very high4 Ų450.8 Ų50.84%0.04125%0.254CS..THydrogen-bonded Turntrans78.211.1174.200000115.2R724 Y728 C729 P730 P733R724-G726 PolarHBondContact O-N 3.3Å; G726-Y728 PolarHBondContact O-N 2.93Å; G726-C729 CarbonylContact O-C 3.45Å; G726-C729 PolarHBondContact O-N 3.43Å; G726-P730 VanDerWaalsContact O-N 3.17Å; G726-P733 VanDerWaalsContact CA-O 3.31Å; G726-P733 WeakPolarHBondContact CA-O 3.4Å; G726-P733 PolarHBondContact N-O 3Å
727Y96.9Very high96.7Very high93 Ų9354.9 Ų54.937%0.36527%0.272SS..THydrogen-bonded Turntrans-55.1-39.5-175.8-174.2-94.7000112.9Y565 I607 Q722 D725Y565-Y727 HydrophobicContact CE1-CE1 4.08Å; Y565-Y727 PolarHBondContact OH-OH 3.34Å; I607-Y727 HydrophobicContact CG2-CE1 4.21Å; Q722-Y727 HydrophobicContact CB-CG 4.36Å; Q722-Y727 HydrophobicContact CG-CG 4.32Å; Q722-Y727 VanDerWaalsContact O-CB 3.25Å; Q722-Y727 WeakPolarHBondContact O-CB 3.38Å; Q722-Y727 PolarHBondContact O-N 3.04Å; D725-Y727 VanDerWaalsContact C-N 3.33Å; D725-Y727 PolarHBondContact O-N 3.22Å
728Y96.8Very high96.5Very high2 Ų253.2 Ų53.21%0.00827%0.273CS..THydrogen-bonded Turntrans-85.4-12.9-180-58.8-67000114I562 L600 S603 V604 I607 Q722 I723 G726I562-Y728 HydrophobicContact CD1-CE2 3.88Å; I562-Y728 HydrophobicContact CG1-CE1 4.47Å; I562-Y728 HydrophobicContact CG1-CE2 4.29Å; I562-Y728 WeakPolarHBondContact CG1-OH 3.22Å; I562-Y728 WeakPolarHBondContact CG2-OH 3.38Å; L600-Y728 HydrophobicContact CD1-CD2 4.31Å; S603-Y728 WeakPolarHBondContact CB-O 3.39Å; V604-Y728 HydrophobicContact CB-CD1 4.21Å; V604-Y728 HydrophobicContact CB-CE1 4.38Å; V604-Y728 HydrophobicContact CG1-CE1 4.26Å; V604-Y728 HydrophobicContact CG2-CD1 3.68Å; V604-Y728 HydrophobicContact CG2-CD2 4.06Å; V604-Y728 HydrophobicContact CG2-CE1 3.9Å; V604-Y728 HydrophobicContact CG2-CE2 4.24Å; V604-Y728 HydrophobicContact CG2-CG 3.78Å; I607-Y728 HydrophobicContact CB-CD1 4.37Å; I607-Y728 HydrophobicContact CG1-CD1 4.04Å; Q722-Y728 HydrophobicContact CB-CE2 3.8Å; Q722-Y728 PolarHBondContact OE1-OH 2.64Å; Q722-Y728 VanDerWaalsContact OE1-OH 3.09Å; I723-Y728 HydrophobicContact CG1-CD2 4.12Å; I723-Y728 HydrophobicContact CG1-CE2 3.98Å; G726-Y728 PolarHBondContact O-N 2.93Å
729C95Very high96.4Very high5 Ų549.4 Ų49.43%0.03425%0.254CS..  trans-14272.1176.5-148.80000111.8G726 N731 E732 L735 F736G726-C729 CarbonylContact O-C 3.45Å; G726-C729 PolarHBondContact O-N 3.43Å; C729-N731 PolarHBondContact O-N 2.98Å; C729-N731 VanDerWaalsContact O-N 3.11Å; C729-E732 CarbonylContact O-C 3.08Å; C729-E732 PolarHBondContact O-N 3.35Å; C729-L735 HydrophobicContact CB-CD2 4.24Å; C729-F736 HydrophobicContact CB-CE2 3.95Å
730P93.8Very high96.4Very high85 Ų8551.3 Ų51.355%0.55226%0.261SS*.THydrogen-bonded Turntrans-60.9-27.2-173-25.935.3000114.8G726 E732G726-P730 VanDerWaalsContact O-N 3.17Å; P730-E732 VanDerWaalsContact C-N 3.28Å; P730-E732 PolarHBondContact O-N 2.75Å
731N94.5Very high96.3Very high149 Ų14957.6 Ų57.680%0.79729%0.288SS*.THydrogen-bonded Turntrans-74.4-20.3178-62.1-12000112.7C729C729-N731 PolarHBondContact O-N 2.98Å; C729-N731 VanDerWaalsContact O-N 3.11Å
732E95.3Very high96.2Very high98 Ų9858.4 Ų58.446%0.45829%0.29SS..SBendtrans-137.668.6-179.7-63.5175.7-10500108.2C729 P730 D734 L735C729-E732 CarbonylContact O-C 3.08Å; C729-E732 PolarHBondContact O-N 3.35Å; P730-E732 VanDerWaalsContact C-N 3.28Å; P730-E732 PolarHBondContact O-N 2.75Å; E732-D734 PolarHBondContact O-N 3.22Å; E732-L735 HydrophobicContact CB-CB 4Å; E732-L735 WeakPolarHBondContact O-CB 3.34Å; E732-L735 PolarHBondContact O-N 3.47Å
733P95.5Very high96.1Very high62 Ų6257.6 Ų57.640%0.40329%0.287SS..THydrogen-bonded Turntrans-61.8-23.2-168.124-34.1000113.3G726G726-P733 VanDerWaalsContact CA-O 3.31Å; G726-P733 WeakPolarHBondContact CA-O 3.4Å; G726-P733 PolarHBondContact N-O 3Å
734D96.7Very high96.1Very high93 Ų9358.5 Ų58.550%0.49729%0.292SS..THydrogen-bonded Turntrans-89.6-5.3-177.5-72.68.3000113.5E732 F736 K737E732-D734 PolarHBondContact O-N 3.22Å; D734-F736 VanDerWaalsContact C-N 3.29Å; D734-F736 PolarHBondContact O-N 2.83Å; D734-F736 VanDerWaalsContact O-N 3.15Å; D734-K737 HydrophobicContact CB-CD 3.87Å; D734-K737 HydrophobicContact CB-CG 4.46Å; D734-K737 VanDerWaalsContact CG-CE 3.42Å; D734-K737 WeakPolarHBondContact O-CB 3.48Å; D734-K737 PolarHBondContact O-N 2.67Å; D734-K737 VanDerWaalsContact O-N 3.08Å; D734-K737 WeakPolarHBondContact OD1-CE 3.45Å; D734-K737 IonicContact OD1-NZ 3.74Å; D734-K737 PolarHBondContact OD1-NZ 3.49Å; D734-K737 IonicContact OD2-NZ 2.76Å; D734-K737 PolarHBondContact OD2-NZ 3.26Å
735L97.2Very high96Very high28 Ų2859.5 Ų59.515%0.14731%0.306CS..THydrogen-bonded Turntrans-55.1-40.1-169.6176.460.3000113.7W156 M596 K599 C729 E732W156-L735 HydrophobicContact CH2-CD1 4.11Å; W156-L735 HydrophobicContact CZ2-CD1 3.68Å; W156-L735 HydrophobicContact CZ2-CD2 4.32Å; M596-L735 HydrophobicContact CE-CD1 4.14Å; M596-L735 HydrophobicContact SD-CD1 4.13Å; M596-L735 HydrophobicContact SD-CG 4.27Å; K599-L735 HydrophobicContact CD-CD2 4.45Å; K599-L735 HydrophobicContact CG-CD2 4Å; C729-L735 HydrophobicContact CB-CD2 4.24Å; E732-L735 HydrophobicContact CB-CB 4Å; E732-L735 WeakPolarHBondContact O-CB 3.34Å; E732-L735 PolarHBondContact O-N 3.47Å
736F97.9Very high95.9Very high2 Ų259.4 Ų59.41%0.00930%0.303CS..THydrogen-bonded Turntrans-998.5-176.1-56.8-59.4000114M596 K599 L600 I723 C729 D734 D738 L739 Y740M596-F736 HydrophobicContact CG-CD1 4.19Å; M596-F736 HydrophobicContact SD-CD1 3.69Å; M596-F736 HydrophobicContact SD-CE1 3.89Å; K599-F736 HydrophobicContact CB-CE1 4.39Å; K599-F736 HydrophobicContact CG-CE1 3.91Å; K599-F736 HydrophobicContact CG-CZ 3.99Å; L600-F736 HydrophobicContact CB-CD1 4.14Å; L600-F736 HydrophobicContact CB-CE1 3.7Å; L600-F736 HydrophobicContact CB-CZ 4.05Å; L600-F736 HydrophobicContact CD1-CD1 4.31Å; L600-F736 HydrophobicContact CD1-CD2 3.99Å; L600-F736 HydrophobicContact CD1-CE1 4.2Å; L600-F736 HydrophobicContact CD1-CE2 3.86Å; L600-F736 HydrophobicContact CD1-CG 4.22Å; L600-F736 HydrophobicContact CD1-CZ 3.98Å; I723-F736 HydrophobicContact CG2-CB 3.62Å; I723-F736 HydrophobicContact CG2-CG 4.34Å; C729-F736 HydrophobicContact CB-CE2 3.95Å; D734-F736 VanDerWaalsContact C-N 3.29Å; D734-F736 PolarHBondContact O-N 2.83Å; D734-F736 VanDerWaalsContact O-N 3.15Å; F736-D738 VanDerWaalsContact C-N 3.29Å; F736-D738 PolarHBondContact O-N 3.19Å; F736-L739 PolarHBondContact O-N 3.46Å; F736-Y740 PolarHBondContact O-N 3.11Å
737K95.9Very high95.9Very high86 Ų8659.5 Ų59.537%0.37430%0.302SS..Hα-helixtrans-60.3-37.1-179.6-77.5-178.3174.4173.80112.8D734 Y740 K741D734-K737 HydrophobicContact CB-CD 3.87Å; D734-K737 HydrophobicContact CB-CG 4.46Å; D734-K737 VanDerWaalsContact CG-CE 3.42Å; D734-K737 WeakPolarHBondContact O-CB 3.48Å; D734-K737 PolarHBondContact O-N 2.67Å; D734-K737 VanDerWaalsContact O-N 3.08Å; D734-K737 WeakPolarHBondContact OD1-CE 3.45Å; D734-K737 IonicContact OD1-NZ 3.74Å; D734-K737 PolarHBondContact OD1-NZ 3.49Å; D734-K737 IonicContact OD2-NZ 2.76Å; D734-K737 PolarHBondContact OD2-NZ 3.26Å; K737-Y740 PolarHBondContact O-N 3.02Å; K737-K741 VanDerWaalsContact O-CB 3.26Å; K737-K741 WeakPolarHBondContact O-CB 3.48Å; K737-K741 PolarHBondContact O-N 2.8Å
738D93.7Very high95.8Very high100 Ų10058.7 Ų58.754%0.53530%0.301SS..Hα-helixtrans-66.8-41.8177.8-75.6-17.6000112.3F736 K741 K742F736-D738 VanDerWaalsContact C-N 3.29Å; F736-D738 PolarHBondContact O-N 3.19Å; D738-K741 PolarHBondContact O-N 2.95Å; D738-K742 PolarHBondContact O-N 2.85Å
739L96.4Very high95.8Very high3 Ų359.3 Ų59.32%0.01630%0.303CS..Hα-helixtrans-63.9-46.5175.1172.961.8000110.7L555 M593 M596 I597 L600 F736 K742 L743L555-L739 HydrophobicContact CD1-CD1 3.95Å; L555-L739 HydrophobicContact CD2-CD2 4.21Å; M593-L739 HydrophobicContact SD-CB 4.18Å; M593-L739 HydrophobicContact SD-CD1 3.63Å; M593-L739 HydrophobicContact SD-CG 4.49Å; M596-L739 HydrophobicContact CG-CB 4.25Å; M596-L739 HydrophobicContact CG-CD2 4.5Å; I597-L739 HydrophobicContact CG1-CD1 4.32Å; L600-L739 HydrophobicContact CB-CD2 4.38Å; L600-L739 HydrophobicContact CD2-CD2 3.6Å; F736-L739 PolarHBondContact O-N 3.46Å; L739-K742 PolarHBondContact O-N 3.44Å; L739-L743 HydrophobicContact CD1-CD1 4.3Å; L739-L743 HydrophobicContact CD1-CG 4.5Å; L739-L743 HydrophobicContact CG-CD1 4.37Å; L739-L743 WeakPolarHBondContact O-CG 3.49Å; L739-L743 PolarHBondContact O-N 3.19Å; L739-L743 VanDerWaalsContact O-N 3.09Å
740Y97.5Very high95.9Very high39 Ų3959.1 Ų59.115%0.15330%0.302CS..Hα-helixtrans-57-50.3173.9170.5-94000111.2L720 R724 F736 K737 K742 L743 V744L720-Y740 HydrophobicContact CB-CD2 4.03Å; L720-Y740 HydrophobicContact CB-CE2 3.87Å; L720-Y740 VanDerWaalsContact O-CD2 3.31Å; L720-Y740 WeakPolarHBondContact O-CD2 2.99Å; R724-Y740 HydrophobicContact CB-CD1 4.17Å; R724-Y740 HydrophobicContact CB-CD2 3.77Å; R724-Y740 HydrophobicContact CB-CE1 4.41Å; R724-Y740 HydrophobicContact CB-CE2 4.01Å; R724-Y740 HydrophobicContact CB-CG 3.84Å; R724-Y740 HydrophobicContact CG-CD1 3.96Å; R724-Y740 HydrophobicContact CG-CD2 4.44Å; R724-Y740 HydrophobicContact CG-CE1 4.08Å; R724-Y740 HydrophobicContact CG-CG 4.15Å; R724-Y740 PolarHBondContact NH1-OH 3.11Å; F736-Y740 PolarHBondContact O-N 3.11Å; K737-Y740 PolarHBondContact O-N 3.02Å; Y740-K742 VanDerWaalsContact C-N 3.29Å; Y740-K742 PolarHBondContact O-N 3.41Å; Y740-L743 PolarHBondContact O-N 3.04Å; Y740-L743 VanDerWaalsContact O-N 3.07Å; Y740-V744 HydrophobicContact CD1-CG1 4.35Å; Y740-V744 HydrophobicContact CD1-CG2 4.27Å; Y740-V744 HydrophobicContact CD2-CG1 4.03Å; Y740-V744 HydrophobicContact CE1-CG1 3.93Å; Y740-V744 HydrophobicContact CE1-CG2 3.91Å; Y740-V744 HydrophobicContact CE2-CG1 3.6Å; Y740-V744 HydrophobicContact CG-CG1 4.4Å; Y740-V744 WeakPolarHBondContact O-CG1 3.35Å; Y740-V744 PolarHBondContact O-N 3.31Å
741K97Very high96.1Very high134 Ų13455.3 Ų55.358%0.58328%0.277SS*.Hα-helixtrans-54.4-48.3179.7-176.4179178-1770110.4K737 D738 L743 V744 T745K737-K741 VanDerWaalsContact O-CB 3.26Å; K737-K741 WeakPolarHBondContact O-CB 3.48Å; K737-K741 PolarHBondContact O-N 2.8Å; D738-K741 PolarHBondContact O-N 2.95Å; K741-L743 VanDerWaalsContact C-N 3.33Å; K741-L743 PolarHBondContact O-N 3.3Å; K741-V744 WeakPolarHBondContact O-CG2 3.29Å; K741-V744 PolarHBondContact O-N 2.69Å; K741-T745 HydrophobicContact CG-CG2 4.33Å; K741-T745 WeakPolarHBondContact O-CG2 3.35Å; K741-T745 PolarHBondContact O-N 2.87Å; K741-T745 PolarHBondContact O-OG1 3.3Å
742K95.6Very high96.3Very high49 Ų4948.3 Ų48.321%0.21324%0.24CC..Hα-helixtrans-59.6-41.6178.5-166.3170.9-174.4-1790112.5E550 M593 D738 L739 Y740 E746 D747E550-K742 WeakPolarHBondContact OE1-CE 3.44Å; E550-K742 IonicContact OE1-NZ 2.71Å; E550-K742 PolarHBondContact OE1-NZ 3.24Å; E550-K742 IonicContact OE2-NZ 3.67Å; E550-K742 PolarHBondContact OE2-NZ 3.25Å; M593-K742 HydrophobicContact CE-CD 3.84Å; M593-K742 HydrophobicContact CG-CD 4.49Å; D738-K742 PolarHBondContact O-N 2.85Å; L739-K742 PolarHBondContact O-N 3.44Å; Y740-K742 VanDerWaalsContact C-N 3.29Å; Y740-K742 PolarHBondContact O-N 3.41Å; K742-E746 WeakPolarHBondContact CE-OE2 3.39Å; K742-E746 PolarHBondContact O-N 3.37Å; K742-D747 PolarHBondContact O-N 2.85Å
743L96.9Very high96.4Very high9 Ų944 Ų445%0.04722%0.221CC..Hα-helixtrans-68.5-34.3178.1-71.5170.2000113.4L555 P706 L720 L739 Y740 K741 D747 V751L555-L743 HydrophobicContact CD1-CD1 4.37Å; L555-L743 HydrophobicContact CD1-CD2 4.19Å; P706-L743 VanDerWaalsContact CB-O 3.22Å; P706-L743 WeakPolarHBondContact CB-O 3.35Å; L720-L743 HydrophobicContact CD2-CD1 3.86Å; L739-L743 HydrophobicContact CD1-CD1 4.3Å; L739-L743 HydrophobicContact CD1-CG 4.5Å; L739-L743 HydrophobicContact CG-CD1 4.37Å; L739-L743 WeakPolarHBondContact O-CG 3.49Å; L739-L743 PolarHBondContact O-N 3.19Å; L739-L743 VanDerWaalsContact O-N 3.09Å; Y740-L743 PolarHBondContact O-N 3.04Å; Y740-L743 VanDerWaalsContact O-N 3.07Å; K741-L743 VanDerWaalsContact C-N 3.33Å; K741-L743 PolarHBondContact O-N 3.3Å; L743-D747 WeakPolarHBondContact O-CB 3.28Å; L743-V751 HydrophobicContact CD2-CB 4.12Å; L743-V751 HydrophobicContact CD2-CG1 4.39Å; L743-V751 HydrophobicContact CD2-CG2 4.38Å
744V97.1Very high96.6Very high19 Ų1941.1 Ų41.112%0.11520%0.202CC..Hα-helixtrans-87.1-22.1-178.4-55.10000113.5M707 I710 Y740 K741M707-V744 HydrophobicContact SD-CB 3.85Å; M707-V744 HydrophobicContact SD-CG1 4.28Å; I710-V744 HydrophobicContact CD1-CB 4.21Å; I710-V744 HydrophobicContact CD1-CG1 3.74Å; Y740-V744 HydrophobicContact CD1-CG1 4.35Å; Y740-V744 HydrophobicContact CD1-CG2 4.27Å; Y740-V744 HydrophobicContact CD2-CG1 4.03Å; Y740-V744 HydrophobicContact CE1-CG1 3.93Å; Y740-V744 HydrophobicContact CE1-CG2 3.91Å; Y740-V744 HydrophobicContact CE2-CG1 3.6Å; Y740-V744 HydrophobicContact CG-CG1 4.4Å; Y740-V744 WeakPolarHBondContact O-CG1 3.35Å; Y740-V744 PolarHBondContact O-N 3.31Å; K741-V744 WeakPolarHBondContact O-CG2 3.29Å; K741-V744 PolarHBondContact O-N 2.69Å
745T95.2Very high96.7Very high92 Ų9236.7 Ų36.756%0.56418%0.178SC*.Hα-helixtrans-101.6-48.1-179.163.50000113.9K741K741-T745 HydrophobicContact CG-CG2 4.33Å; K741-T745 WeakPolarHBondContact O-CG2 3.35Å; K741-T745 PolarHBondContact O-N 2.87Å; K741-T745 PolarHBondContact O-OG1 3.3Å
746E93.5Very high96.7Very high95 Ų9538 Ų3844%0.44419%0.193SC..THydrogen-bonded Turntrans-107.9-56.2-170.4-172.6-170.3175.800111.3K742 K748K742-E746 WeakPolarHBondContact CE-OE2 3.39Å; K742-E746 PolarHBondContact O-N 3.37Å; E746-K748 VanDerWaalsContact C-N 3.25Å; E746-K748 HydrophobicContact CG-CB 4.25Å; E746-K748 PolarHBondContact O-N 2.89Å
747D96.4Very high96.8Very high6 Ų640.4 Ų40.43%0.03221%0.206CC..  trans33.558.8-171.7-176.823.4000112.6Y704 P706 K742 L743 F749 M750 V751 C752Y704-D747 HydrophobicContact CE1-CB 3.9Å; Y704-D747 VanDerWaalsContact CE1-O 3.31Å; Y704-D747 WeakPolarHBondContact CE1-O 3.3Å; Y704-D747 PolarHBondContact OH-OD2 3.14Å; P706-D747 HydrophobicContact CB-CB 4.23Å; P706-D747 HydrophobicContact CG-CB 3.83Å; K742-D747 PolarHBondContact O-N 2.85Å; L743-D747 WeakPolarHBondContact O-CB 3.28Å; D747-F749 PolarHBondContact O-N 3.15Å; D747-M750 PolarHBondContact O-N 3.03Å; D747-M750 PolarHBondContact OD1-N 2.95Å; D747-M750 WeakPolarHBondContact OD2-CA 3.24Å; D747-V751 VanDerWaalsContact CG-N 3.28Å; D747-V751 WeakPolarHBondContact OD1-CB 3.43Å; D747-V751 PolarHBondContact OD1-N 3.45Å; D747-V751 PolarHBondContact OD2-N 2.89Å; D747-C752 WeakPolarHBondContact OD2-CB 3.21Å; D747-C752 PolarHBondContact OD2-N 3.33Å; D747-C752 PolarHBondContact OD2-SG 3.04Å
748K94.3Very high96.9Very high77 Ų7736.3 Ų36.334%0.33519%0.188SC..THydrogen-bonded Turntrans-48.8-27.6-175.5-176.5175176.3-177.90113.8E359 E746E359-K748 WeakPolarHBondContact OE1-CE 3.31Å; E359-K748 IonicContact OE1-NZ 3.66Å; E359-K748 PolarHBondContact OE1-NZ 3.29Å; E746-K748 VanDerWaalsContact C-N 3.25Å; E746-K748 HydrophobicContact CG-CB 4.25Å; E746-K748 PolarHBondContact O-N 2.89Å
749F96.3Very high97.1Very high15 Ų1532.5 Ų32.57%0.06617%0.167CC..THydrogen-bonded Turntrans-109.215.4-175.4-52.8-67.1000113.6E550 Y551 R553 C646 T649 D747 V751E550-F749 HydrophobicContact CB-CD2 3.48Å; E550-F749 VanDerWaalsContact CB-CD2 3.48Å; E550-F749 HydrophobicContact CB-CE2 3.32Å; E550-F749 HydrophobicContact CB-CZ 4.34Å; E550-F749 HydrophobicContact CG-CE2 4.4Å; Y551-F749 VanDerWaalsContact CB-CD1 3.41Å; R553-F749 VanDerWaalsContact CD-O 3.28Å; R553-F749 WeakPolarHBondContact CD-O 3.48Å; R553-F749 HydrophobicContact CG-CB 4.36Å; C646-F749 HydrophobicContact CB-CB 4.03Å; C646-F749 HydrophobicContact CB-CD1 4.29Å; T649-F749 HydrophobicContact CG2-CD1 4.45Å; D747-F749 PolarHBondContact O-N 3.15Å; F749-V751 VanDerWaalsContact C-N 3.26Å; F749-V751 PolarHBondContact O-N 2.9Å
750M97.5Very high97.2Very high1 Ų136.4 Ų36.41%0.00518%0.182CC..  trans54.437.4168.8-59.8-174.4-17900114V696 L699 R700 Y704 D747 C752 A753 D754V696-M750 HydrophobicContact CB-CE 4.4Å; V696-M750 HydrophobicContact CB-SD 4.29Å; V696-M750 HydrophobicContact CG1-CE 3.88Å; V696-M750 HydrophobicContact CG1-SD 4.11Å; V696-M750 HydrophobicContact CG2-SD 3.95Å; V696-M750 WeakPolarHBondContact O-CE 3.27Å; L699-M750 HydrophobicContact CB-CE 3.79Å; L699-M750 HydrophobicContact CD1-CE 4.37Å; L699-M750 HydrophobicContact CD1-SD 4.15Å; R700-M750 HydrophobicContact CG-CE 3.77Å; Y704-M750 HydrophobicContact CE1-CG 4.26Å; Y704-M750 HydrophobicContact CE2-CG 4.5Å; D747-M750 PolarHBondContact O-N 3.03Å; D747-M750 PolarHBondContact OD1-N 2.95Å; D747-M750 WeakPolarHBondContact OD2-CA 3.24Å; M750-C752 VanDerWaalsContact C-N 3.33Å; M750-C752 PolarHBondContact O-N 3.24Å; M750-A753 HydrophobicContact CB-CB 3.85Å; M750-A753 HydrophobicContact CG-CB 4.47Å; M750-A753 PolarHBondContact O-N 3.45Å; M750-D754 PolarHBondContact O-N 2.9Å
751V98.4Very high97.3Very high4 Ų434.6 Ų34.62%0.02418%0.175CC..Hα-helixtrans-57.8-47.7175.5175.60000110.2R553 L555 L556 L559 L743 D747 F749 A753 Y755R553-V751 HydrophobicContact CB-CG2 4.46Å; R553-V751 HydrophobicContact CG-CG2 4.04Å; L555-V751 HydrophobicContact CB-CG1 4.35Å; L556-V751 HydrophobicContact CD2-CG1 3.92Å; L556-V751 HydrophobicContact CG-CG1 4.2Å; L559-V751 HydrophobicContact CD1-CG1 3.72Å; L743-V751 HydrophobicContact CD2-CB 4.12Å; L743-V751 HydrophobicContact CD2-CG1 4.39Å; L743-V751 HydrophobicContact CD2-CG2 4.38Å; D747-V751 VanDerWaalsContact CG-N 3.28Å; D747-V751 WeakPolarHBondContact OD1-CB 3.43Å; D747-V751 PolarHBondContact OD1-N 3.45Å; D747-V751 PolarHBondContact OD2-N 2.89Å; F749-V751 VanDerWaalsContact C-N 3.26Å; F749-V751 PolarHBondContact O-N 2.9Å; V751-A753 VanDerWaalsContact C-N 3.32Å; V751-A753 PolarHBondContact O-N 2.77Å; V751-Y755 WeakPolarHBondContact O-CB 3.31Å; V751-Y755 PolarHBondContact O-N 3.42Å; V751-Y755 VanDerWaalsContact O-N 3.1Å
752C98.4Very high97.4Very high3 Ų328.2 Ų28.22%0.0215%0.147CC..Hα-helixtrans-68.5-34.4-179.9-59.10000111.7P706 I710 L716 D747 M750P706-C752 HydrophobicContact CB-CB 4.4Å; I710-C752 HydrophobicContact CG1-CB 4.24Å; L716-C752 HydrophobicContact CD2-CB 4.06Å; D747-C752 WeakPolarHBondContact OD2-CB 3.21Å; D747-C752 PolarHBondContact OD2-N 3.33Å; D747-C752 PolarHBondContact OD2-SG 3.04Å; M750-C752 VanDerWaalsContact C-N 3.33Å; M750-C752 PolarHBondContact O-N 3.24Å
753A97.8Very high97.5Very high6 Ų628.8 Ų28.85%0.0516%0.161CC..Hα-helixtrans-68.4-45.4-178.700000111.2R691 Y704 Y709 M750 V751R691-A753 VanDerWaalsContact CZ-CB 3.41Å; R691-A753 PolarHBondContact NH1-O 2.9Å; R691-A753 PolarHBondContact NH2-O 2.84Å; Y704-A753 HydrophobicContact CE2-CB 3.72Å; Y704-A753 PolarHBondContact OH-N 3.4Å; Y709-A753 HydrophobicContact CD1-CB 4.46Å; Y709-A753 HydrophobicContact CD2-CB 4.22Å; Y709-A753 HydrophobicContact CE1-CB 4.37Å; Y709-A753 HydrophobicContact CE2-CB 4.11Å; Y709-A753 HydrophobicContact CG-CB 4.39Å; M750-A753 HydrophobicContact CB-CB 3.85Å; M750-A753 HydrophobicContact CG-CB 4.47Å; M750-A753 PolarHBondContact O-N 3.45Å; V751-A753 VanDerWaalsContact C-N 3.32Å; V751-A753 PolarHBondContact O-N 2.77Å
754D98.5Very high97.6Very high2 Ų232.2 Ų32.21%0.01118%0.176CC..Hα-helixtrans-86.7-9.5-176.1-78.2-9.2000113.6R553 F689 R691 M750 A756 D757 Y758R553-D754 IonicContact CZ-OD2 2.82Å; R553-D754 IonicContact NH1-OD2 2.95Å; R553-D754 PolarHBondContact NH1-OD2 2.82Å; R553-D754 IonicContact NH2-OD2 3.29Å; F689-D754 HydrophobicContact CE2-CB 4.45Å; R691-D754 WeakPolarHBondContact CD-OD1 3.28Å; R691-D754 WeakPolarHBondContact CG-OD1 3.47Å; R691-D754 IonicContact CZ-OD1 3.78Å; R691-D754 PolarHBondContact N-OD1 2.85Å; R691-D754 IonicContact NH1-OD1 2.76Å; R691-D754 PolarHBondContact NH1-OD1 3.44Å; M750-D754 PolarHBondContact O-N 2.9Å; D754-A756 PolarHBondContact O-N 3.31Å; D754-D757 PolarHBondContact O-N 3.26Å; D754-Y758 WeakPolarHBondContact O-CB 3.47Å; D754-Y758 PolarHBondContact O-N 3.29Å
755Y98.8Very high97.6Very high1 Ų131.3 Ų31.30%0.00417%0.171CC..Hα-helixtrans-50.8-49.8-176.8171.7-93.5000113.6L559 T563 L716 V751 D757 Y758 M759L559-Y755 HydrophobicContact CB-CD2 4.25Å; L559-Y755 HydrophobicContact CB-CE2 4.04Å; L559-Y755 HydrophobicContact CD1-CD2 4.3Å; T563-Y755 WeakPolarHBondContact CG2-OH 3.48Å; T563-Y755 PolarHBondContact OG1-OH 3.27Å; L716-Y755 HydrophobicContact CB-CD1 3.72Å; L716-Y755 HydrophobicContact CB-CE1 3.67Å; L716-Y755 HydrophobicContact CB-CG 4.32Å; L716-Y755 HydrophobicContact CD1-CD1 4.16Å; L716-Y755 HydrophobicContact CD1-CD2 3.93Å; L716-Y755 HydrophobicContact CD1-CE1 4.48Å; L716-Y755 HydrophobicContact CD1-CE2 4.27Å; L716-Y755 HydrophobicContact CD1-CG 3.87Å; L716-Y755 HydrophobicContact CD2-CD1 4.1Å; L716-Y755 HydrophobicContact CD2-CG 4.2Å; L716-Y755 HydrophobicContact CG-CD1 4.2Å; L716-Y755 HydrophobicContact CG-CG 4.35Å; V751-Y755 WeakPolarHBondContact O-CB 3.31Å; V751-Y755 PolarHBondContact O-N 3.42Å; V751-Y755 VanDerWaalsContact O-N 3.1Å; Y755-D757 PolarHBondContact O-N 3.03Å; Y755-Y758 WeakPolarHBondContact O-CB 3.24Å; Y755-Y758 PolarHBondContact O-N 3.49Å; Y755-M759 HydrophobicContact CD1-CG 4.31Å; Y755-M759 HydrophobicContact CD2-CG 4.41Å; Y755-M759 HydrophobicContact CE1-CG 3.84Å; Y755-M759 HydrophobicContact CE2-CG 3.96Å; Y755-M759 HydrophobicContact CE2-SD 3.96Å; Y755-M759 WeakPolarHBondContact O-CG 3.45Å; Y755-M759 PolarHBondContact O-N 2.73Å
756A98.4Very high97.8Very high54 Ų5428.2 Ų28.245%0.44615%0.15SC..Hα-helixtrans-64.9-40.2-175.600000112.3D754 M759 R760D754-A756 PolarHBondContact O-N 3.31Å; A756-M759 PolarHBondContact O-N 3.03Å; A756-R760 PolarHBondContact O-N 3.05Å; A756-R760 VanDerWaalsContact O-N 3.09Å
757D98.6Very high97.9Very high54 Ų5427 Ų2729%0.28915%0.152SC..Hα-helixtrans-73.4-33.5179.4-162.150.9000112F689 G690 D754 Y755 R760 A761F689-D757 VanDerWaalsContact CA-OD2 3.24Å; F689-D757 WeakPolarHBondContact CA-OD2 3.35Å; F689-D757 VanDerWaalsContact CB-OD2 3.3Å; F689-D757 WeakPolarHBondContact CB-OD2 3.47Å; G690-D757 PolarHBondContact N-OD2 3.29Å; D754-D757 PolarHBondContact O-N 3.26Å; Y755-D757 PolarHBondContact O-N 3.03Å; D757-R760 VanDerWaalsContact CG-NH2 3.32Å; D757-R760 WeakPolarHBondContact O-CB 3.34Å; D757-R760 PolarHBondContact O-N 2.85Å; D757-R760 IonicContact OD1-CZ 2.83Å; D757-R760 IonicContact OD1-NE 2.76Å; D757-R760 PolarHBondContact OD1-NE 2.92Å; D757-R760 IonicContact OD1-NH2 2.68Å; D757-R760 PolarHBondContact OD1-NH2 2.78Å; D757-R760 VanDerWaalsContact OD1-NH2 3.1Å; D757-R760 IonicContact OD2-CZ 3.98Å; D757-R760 IonicContact OD2-NH2 3.73Å; D757-R760 PolarHBondContact OD2-NH2 2.94Å; D757-A761 PolarHBondContact O-N 3.21Å
758Y98.8Very high98Very high0 Ų026.8 Ų26.80%015%0.151CC..Hα-helixtrans-60.5-44.5169177.5-119.9000111.9L556 P557 E642 I644 I667 F689 D754 Y755 R760 A761 Q762L556-Y758 HydrophobicContact CB-CD1 4.06Å; L556-Y758 HydrophobicContact CB-CE1 3.86Å; L556-Y758 HydrophobicContact CD2-CD1 4.06Å; L556-Y758 HydrophobicContact CD2-CG 4.45Å; L556-Y758 WeakPolarHBondContact O-CE1 3.49Å; P557-Y758 WeakPolarHBondContact CA-OH 3.3Å; E642-Y758 PolarHBondContact OE1-OH 3.09Å; I644-Y758 HydrophobicContact CG2-CE2 4.44Å; I667-Y758 HydrophobicContact CD1-CD2 3.94Å; I667-Y758 HydrophobicContact CD1-CE2 3.72Å; I667-Y758 HydrophobicContact CG1-CE2 4.42Å; F689-Y758 HydrophobicContact CD1-CD2 4.2Å; F689-Y758 VanDerWaalsContact CD2-CA 3.49Å; F689-Y758 HydrophobicContact CD2-CD2 4.19Å; F689-Y758 HydrophobicContact CD2-CG 4.4Å; F689-Y758 AromaticContact CE1-CD2 3.66Å; F689-Y758 HydrophobicContact CE1-CD2 3.66Å; F689-Y758 HydrophobicContact CE1-CE2 4.27Å; F689-Y758 VanDerWaalsContact CE2-CB 3.48Å; F689-Y758 AromaticContact CE2-CD2 3.69Å; F689-Y758 HydrophobicContact CE2-CD2 3.69Å; F689-Y758 AromaticContact CE2-CG 3.94Å; F689-Y758 HydrophobicContact CE2-CG 3.94Å; F689-Y758 HydrophobicContact CG-CD2 4.43Å; F689-Y758 AromaticContact CZ-CD2 3.38Å; F689-Y758 HydrophobicContact CZ-CD2 3.38Å; F689-Y758 HydrophobicContact CZ-CE2 4.15Å; F689-Y758 HydrophobicContact CZ-CG 4.07Å; D754-Y758 WeakPolarHBondContact O-CB 3.47Å; D754-Y758 PolarHBondContact O-N 3.29Å; Y755-Y758 WeakPolarHBondContact O-CB 3.24Å; Y755-Y758 PolarHBondContact O-N 3.49Å; Y758-R760 VanDerWaalsContact C-N 3.33Å; Y758-R760 PolarHBondContact O-N 3.46Å; Y758-A761 PolarHBondContact O-N 2.95Å; Y758-Q762 HydrophobicContact CD2-CG 4.31Å; Y758-Q762 HydrophobicContact CE1-CG 4.3Å; Y758-Q762 HydrophobicContact CE2-CG 3.92Å; Y758-Q762 WeakPolarHBondContact O-CG 3.16Å; Y758-Q762 PolarHBondContact O-N 3.35Å; Y758-Q762 PolarHBondContact OH-NE2 3.42Å
759M98.7Very high98.2Very high19 Ų1925.4 Ų25.49%0.09414%0.144CC..Hα-helixtrans-62.6-38.1176-66.9-57.6-58.900112.2Y560 T563 Y755 A756 Q762 A763Y560-M759 HydrophobicContact CD2-CE 3.67Å; Y560-M759 HydrophobicContact CD2-SD 3.65Å; Y560-M759 HydrophobicContact CE2-CE 4.04Å; Y560-M759 HydrophobicContact CG-SD 4.44Å; T563-M759 HydrophobicContact CG2-CE 3.69Å; Y755-M759 HydrophobicContact CD1-CG 4.31Å; Y755-M759 HydrophobicContact CD2-CG 4.41Å; Y755-M759 HydrophobicContact CE1-CG 3.84Å; Y755-M759 HydrophobicContact CE2-CG 3.96Å; Y755-M759 HydrophobicContact CE2-SD 3.96Å; Y755-M759 WeakPolarHBondContact O-CG 3.45Å; Y755-M759 PolarHBondContact O-N 2.73Å; A756-M759 PolarHBondContact O-N 3.03Å; M759-Q762 PolarHBondContact O-N 2.96Å; M759-A763 PolarHBondContact O-N 2.85Å; M759-A763 VanDerWaalsContact O-N 3.11Å
760R98.3Very high98.2Very high86 Ų8630.7 Ų30.733%0.32517%0.167SC..Hα-helixtrans-59.4-53.1172172.6-154.25477.1-0.6110.6V688 A756 D757 Y758 Q762 A763 E764V688-R760 PolarHBondContact O-NH2 3.46Å; A756-R760 PolarHBondContact O-N 3.05Å; A756-R760 VanDerWaalsContact O-N 3.09Å; D757-R760 VanDerWaalsContact CG-NH2 3.32Å; D757-R760 WeakPolarHBondContact O-CB 3.34Å; D757-R760 PolarHBondContact O-N 2.85Å; D757-R760 IonicContact OD1-CZ 2.83Å; D757-R760 IonicContact OD1-NE 2.76Å; D757-R760 PolarHBondContact OD1-NE 2.92Å; D757-R760 IonicContact OD1-NH2 2.68Å; D757-R760 PolarHBondContact OD1-NH2 2.78Å; D757-R760 VanDerWaalsContact OD1-NH2 3.1Å; D757-R760 IonicContact OD2-CZ 3.98Å; D757-R760 IonicContact OD2-NH2 3.73Å; D757-R760 PolarHBondContact OD2-NH2 2.94Å; Y758-R760 VanDerWaalsContact C-N 3.33Å; Y758-R760 PolarHBondContact O-N 3.46Å; R760-Q762 VanDerWaalsContact C-N 3.25Å; R760-Q762 PolarHBondContact O-N 2.9Å; R760-A763 WeakPolarHBondContact O-CB 3.41Å; R760-A763 PolarHBondContact O-N 2.86Å; R760-E764 IonicContact CZ-OE1 2.75Å; R760-E764 IonicContact NH1-OE1 3.77Å; R760-E764 PolarHBondContact NH1-OE1 3.45Å; R760-E764 IonicContact NH1-OE2 2.88Å; R760-E764 PolarHBondContact NH1-OE2 2.98Å; R760-E764 PolarHBondContact O-N 2.92Å; R760-E764 VanDerWaalsContact O-N 3.09Å
761A98.6Very high98.2Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-60.5-37-179.200000112I667 F689 D757 Y758 A763 E764 V765I667-A761 HydrophobicContact CD1-CB 3.87Å; I667-A761 HydrophobicContact CG1-CB 4.35Å; F689-A761 HydrophobicContact CB-CB 3.7Å; F689-A761 HydrophobicContact CD1-CB 4.36Å; F689-A761 HydrophobicContact CG-CB 4.24Å; D757-A761 PolarHBondContact O-N 3.21Å; Y758-A761 PolarHBondContact O-N 2.95Å; A761-A763 VanDerWaalsContact C-N 3.32Å; A761-A763 PolarHBondContact O-N 3.5Å; A761-E764 WeakPolarHBondContact O-CB 3.45Å; A761-E764 PolarHBondContact O-N 3.5Å; A761-V765 WeakPolarHBondContact O-CG2 3.38Å; A761-V765 PolarHBondContact O-N 3.19Å
762Q98.7Very high98.1Very high1 Ų141.5 Ų41.51%0.00522%0.22CC..Hα-helixtrans-64.1-34.4174-76.7-72.119.900113.2D542 Y560 E642 I667 Y758 M759 R760 V765 E766D542-Q762 PolarHBondContact OD2-NE2 2.87Å; D542-Q762 VanDerWaalsContact OD2-NE2 3.15Å; Y560-Q762 HydrophobicContact CD2-CB 3.96Å; Y560-Q762 HydrophobicContact CD2-CG 3.84Å; Y560-Q762 HydrophobicContact CE2-CB 3.64Å; Y560-Q762 HydrophobicContact CE2-CG 3.94Å; Y560-Q762 HydrophobicContact CG-CG 4.47Å; E642-Q762 PolarHBondContact OE1-NE2 3.01Å; I667-Q762 HydrophobicContact CD1-CG 3.81Å; Y758-Q762 HydrophobicContact CD2-CG 4.31Å; Y758-Q762 HydrophobicContact CE1-CG 4.3Å; Y758-Q762 HydrophobicContact CE2-CG 3.92Å; Y758-Q762 WeakPolarHBondContact O-CG 3.16Å; Y758-Q762 PolarHBondContact O-N 3.35Å; Y758-Q762 PolarHBondContact OH-NE2 3.42Å; M759-Q762 PolarHBondContact O-N 2.96Å; R760-Q762 VanDerWaalsContact C-N 3.25Å; R760-Q762 PolarHBondContact O-N 2.9Å; Q762-V765 WeakPolarHBondContact O-CB 3.3Å; Q762-V765 PolarHBondContact O-N 2.94Å; Q762-E766 PolarHBondContact O-N 3.33Å; Q762-E766 VanDerWaalsContact O-N 3.1Å
763A98.1Very high98.1Very high60 Ų6045.1 Ų45.150%0.49624%0.241SC..Hα-helixtrans-68.1-35.8172.900000112.3M759 R760 A761 E766 S767M759-A763 PolarHBondContact O-N 2.85Å; M759-A763 VanDerWaalsContact O-N 3.11Å; R760-A763 WeakPolarHBondContact O-CB 3.41Å; R760-A763 PolarHBondContact O-N 2.86Å; A761-A763 VanDerWaalsContact C-N 3.32Å; A761-A763 PolarHBondContact O-N 3.5Å; A763-E766 PolarHBondContact O-N 2.98Å; A763-S767 PolarHBondContact O-N 2.62Å
764E98.3Very high98.1Very high81 Ų8150 Ų5038%0.37926%0.258SS..Hα-helixtrans-65.2-39.3173.1-69.2170.8-166.400112F687 R760 A761 E766 S767 A768F687-E764 HydrophobicContact CD1-CB 4.02Å; F687-E764 HydrophobicContact CE1-CB 4.28Å; R760-E764 IonicContact CZ-OE1 2.75Å; R760-E764 IonicContact NH1-OE1 3.77Å; R760-E764 PolarHBondContact NH1-OE1 3.45Å; R760-E764 IonicContact NH1-OE2 2.88Å; R760-E764 PolarHBondContact NH1-OE2 2.98Å; R760-E764 PolarHBondContact O-N 2.92Å; R760-E764 VanDerWaalsContact O-N 3.09Å; A761-E764 WeakPolarHBondContact O-CB 3.45Å; A761-E764 PolarHBondContact O-N 3.5Å; E764-E766 VanDerWaalsContact C-N 3.35Å; E764-S767 PolarHBondContact O-N 3.14Å; E764-A768 WeakPolarHBondContact O-CB 3.45Å; E764-A768 PolarHBondContact O-N 3.04Å
765V98.7Very high98.1Very high0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-57.6-49.8172.3176.50000110.1L540 L640 I667 F687 A761 Q762 S767 A768 Y769 W775L540-V765 HydrophobicContact CD1-CG1 3.91Å; L640-V765 HydrophobicContact CD1-CG1 3.86Å; L640-V765 HydrophobicContact CD1-CG2 3.78Å; L640-V765 HydrophobicContact CD2-CB 4.47Å; L640-V765 HydrophobicContact CD2-CG1 3.85Å; L640-V765 HydrophobicContact CD2-CG2 4.05Å; L640-V765 HydrophobicContact CG-CG1 4.34Å; I667-V765 HydrophobicContact CD1-CG2 4.34Å; F687-V765 HydrophobicContact CB-CG2 4.06Å; F687-V765 HydrophobicContact CD1-CG2 3.75Å; F687-V765 HydrophobicContact CD2-CG2 3.52Å; F687-V765 HydrophobicContact CE1-CB 4.38Å; F687-V765 HydrophobicContact CE1-CG2 4.01Å; F687-V765 HydrophobicContact CE2-CB 4.42Å; F687-V765 HydrophobicContact CE2-CG1 4.48Å; F687-V765 HydrophobicContact CE2-CG2 3.78Å; F687-V765 HydrophobicContact CG-CG2 3.49Å; F687-V765 VanDerWaalsContact CG-CG2 3.49Å; F687-V765 HydrophobicContact CZ-CB 4.31Å; F687-V765 HydrophobicContact CZ-CG2 4.02Å; A761-V765 WeakPolarHBondContact O-CG2 3.38Å; A761-V765 PolarHBondContact O-N 3.19Å; Q762-V765 WeakPolarHBondContact O-CB 3.3Å; Q762-V765 PolarHBondContact O-N 2.94Å; V765-S767 VanDerWaalsContact C-N 3.32Å; V765-S767 PolarHBondContact O-N 2.86Å; V765-A768 PolarHBondContact O-N 3.46Å; V765-Y769 WeakPolarHBondContact O-CB 3.45Å; V765-Y769 PolarHBondContact O-N 2.85Å; V765-W775 HydrophobicContact CG1-CH2 4.22Å; V765-W775 HydrophobicContact CG1-CZ3 4.07Å
766E97.7Very high98.1Very high28 Ų2850.7 Ų50.713%0.13126%0.262CS..Hα-helixtrans-61.5-41.9180-174.2174.9165.100111.7M576 C577 Q762 A763 E764 A768 Y769 K770M576-E766 WeakPolarHBondContact CA-OE1 3.29Å; C577-E766 HydrophobicContact CB-CG 3.91Å; C577-E766 PolarHBondContact N-OE1 2.73Å; Q762-E766 PolarHBondContact O-N 3.33Å; Q762-E766 VanDerWaalsContact O-N 3.1Å; A763-E766 PolarHBondContact O-N 2.98Å; E764-E766 VanDerWaalsContact C-N 3.35Å; E766-A768 VanDerWaalsContact C-N 3.35Å; E766-A768 PolarHBondContact O-N 2.93Å; E766-Y769 PolarHBondContact O-N 3.36Å; E766-K770 WeakPolarHBondContact O-CG 3.41Å; E766-K770 PolarHBondContact O-N 2.8Å; E766-K770 VanDerWaalsContact OE1-CE 3.3Å; E766-K770 WeakPolarHBondContact OE1-CE 3.35Å; E766-K770 IonicContact OE1-NZ 2.78Å; E766-K770 PolarHBondContact OE1-NZ 2.95Å
767S97.6Very high98.1Very high70 Ų7051.5 Ų51.549%0.4926%0.255SS..Hα-helixtrans-62.5-40.7175.4-176.90000112.4A763 E764 V765A763-S767 PolarHBondContact O-N 2.62Å; E764-S767 PolarHBondContact O-N 3.14Å; V765-S767 VanDerWaalsContact C-N 3.32Å; V765-S767 PolarHBondContact O-N 2.86Å
768A98Very high98.1Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-70.2-37.2178.300000111.7F687 E764 V765 E766 K770 D771 W775 M778F687-A768 HydrophobicContact CE1-CB 3.95Å; F687-A768 HydrophobicContact CZ-CB 3.73Å; E764-A768 WeakPolarHBondContact O-CB 3.45Å; E764-A768 PolarHBondContact O-N 3.04Å; V765-A768 PolarHBondContact O-N 3.46Å; E766-A768 VanDerWaalsContact C-N 3.35Å; E766-A768 PolarHBondContact O-N 2.93Å; A768-K770 VanDerWaalsContact C-N 3.3Å; A768-K770 PolarHBondContact O-N 2.86Å; A768-D771 CarbonylContact O-C 3.59Å; A768-D771 PolarHBondContact O-N 3.17Å; A768-D771 VanDerWaalsContact O-N 3.14Å; A768-W775 HydrophobicContact CB-CE3 4.11Å; A768-W775 HydrophobicContact CB-CZ3 4.44Å; A768-M778 HydrophobicContact CB-SD 4.38Å
769Y97.9Very high98.1Very high49 Ų4949.3 Ų49.319%0.19224%0.243CC..Hα-helixtrans-67.1-31.3179.7-162.7-104.5000112.8L540 D639 V765 E766 D771 W775L540-Y769 HydrophobicContact CB-CD1 4.25Å; L540-Y769 HydrophobicContact CB-CE1 3.92Å; L540-Y769 HydrophobicContact CB-CE2 4.23Å; L540-Y769 HydrophobicContact CD1-CD1 4.07Å; L540-Y769 HydrophobicContact CD1-CD2 3.69Å; L540-Y769 HydrophobicContact CD1-CE1 4.49Å; L540-Y769 HydrophobicContact CD1-CE2 4.15Å; L540-Y769 HydrophobicContact CD1-CG 3.65Å; L540-Y769 HydrophobicContact CG-CD2 4.08Å; L540-Y769 HydrophobicContact CG-CE1 4.49Å; L540-Y769 HydrophobicContact CG-CE2 4.02Å; L540-Y769 HydrophobicContact CG-CG 4.36Å; D639-Y769 HydrophobicContact CB-CE2 4.24Å; D639-Y769 PolarHBondContact OD2-OH 3.15Å; V765-Y769 WeakPolarHBondContact O-CB 3.45Å; V765-Y769 PolarHBondContact O-N 2.85Å; E766-Y769 PolarHBondContact O-N 3.36Å; Y769-D771 PolarHBondContact O-N 3.23Å; Y769-W775 AromaticContact CD2-CD2 3.63Å; Y769-W775 HydrophobicContact CD2-CD2 3.63Å; Y769-W775 AromaticContact CD2-CE2 3.54Å; Y769-W775 AromaticContact CD2-CE3 3.76Å; Y769-W775 HydrophobicContact CD2-CE3 3.76Å; Y769-W775 HydrophobicContact CD2-CG 4.29Å; Y769-W775 AromaticContact CD2-CH2 3.76Å; Y769-W775 HydrophobicContact CD2-CH2 3.76Å; Y769-W775 AromaticContact CD2-CZ2 3.65Å; Y769-W775 HydrophobicContact CD2-CZ2 3.65Å; Y769-W775 AromaticContact CD2-CZ3 3.8Å; Y769-W775 HydrophobicContact CD2-CZ3 3.8Å; Y769-W775 HydrophobicContact CE2-CD2 4.34Å; Y769-W775 AromaticContact CE2-CE2 3.86Å; Y769-W775 HydrophobicContact CE2-CH2 4.45Å; Y769-W775 AromaticContact CE2-CZ2 3.96Å; Y769-W775 HydrophobicContact CE2-CZ2 3.96Å; Y769-W775 HydrophobicContact CG-CE3 4.38Å; Y769-W775 HydrophobicContact CG-CZ3 4.44Å
770K97Very high98.1Very high125 Ų12548.4 Ų48.454%0.54324%0.239SC..THydrogen-bonded Turntrans-67.8-23.1173.3-71.2172.6-174.7165.80113.1C577 E766 A768C577-K770 WeakPolarHBondContact SG-CE 3.48Å; C577-K770 WeakPolarHBondContact SG-CG 3.3Å; E766-K770 WeakPolarHBondContact O-CG 3.41Å; E766-K770 PolarHBondContact O-N 2.8Å; E766-K770 VanDerWaalsContact OE1-CE 3.3Å; E766-K770 WeakPolarHBondContact OE1-CE 3.35Å; E766-K770 IonicContact OE1-NZ 2.78Å; E766-K770 PolarHBondContact OE1-NZ 2.95Å; A768-K770 VanDerWaalsContact C-N 3.3Å; A768-K770 PolarHBondContact O-N 2.86Å
771D97.5Very high98.1Very high76 Ų7645.6 Ų45.641%0.40623%0.23SC..  trans-99.390.7175.7-178.8-14.7000109.6A768 Y769 V773 R774 W775A768-D771 CarbonylContact O-C 3.59Å; A768-D771 PolarHBondContact O-N 3.17Å; A768-D771 VanDerWaalsContact O-N 3.14Å; Y769-D771 PolarHBondContact O-N 3.23Å; D771-V773 PolarHBondContact O-N 3Å; D771-V773 PolarHBondContact OD1-N 3.36Å; D771-R774 HydrophobicContact CB-CB 3.88Å; D771-R774 PolarHBondContact O-N 3.45Å; D771-R774 VanDerWaalsContact O-N 3.16Å; D771-R774 PolarHBondContact OD1-N 3.01Å; D771-R774 VanDerWaalsContact OD2-CB 3.28Å; D771-R774 WeakPolarHBondContact OD2-CB 3.42Å; D771-W775 WeakPolarHBondContact O-CB 3.46Å; D771-W775 PolarHBondContact O-N 3.46Å
772E96.6Very high98.1Very high157 Ų15745.6 Ų45.673%0.73423%0.23SC*.Hα-helixtrans-57.2-34.1-176.3-63.3-177.6174.800113S776E772-S776 VanDerWaalsContact O-CB 3.25Å; E772-S776 WeakPolarHBondContact O-CB 3.3Å; E772-S776 PolarHBondContact O-N 3.48Å; E772-S776 PolarHBondContact O-OG 3.38Å
773V97.9Very high98.1Very high78 Ų7845.7 Ų45.747%0.47323%0.23SC..Hα-helixtrans-71.9-45.9179.6177.70000110.1D771 S776 K777D771-V773 PolarHBondContact O-N 3Å; D771-V773 PolarHBondContact OD1-N 3.36Å; V773-S776 PolarHBondContact O-OG 2.89Å; V773-S776 VanDerWaalsContact O-OG 3.1Å; V773-K777 HydrophobicContact CG1-CD 4.47Å; V773-K777 WeakPolarHBondContact O-CB 3.43Å; V773-K777 WeakPolarHBondContact O-CG 3.32Å; V773-K777 PolarHBondContact O-N 3.36Å; V773-K777 VanDerWaalsContact O-N 3.13Å
774R97.9Very high98.1Very high109 Ų10942.8 Ų42.841%0.41121%0.207SC..Hα-helixtrans-62.3-48.5175.3179.8-179.5174.3-171.6-2110.9D771 S776 K777 M778D771-R774 HydrophobicContact CB-CB 3.88Å; D771-R774 PolarHBondContact O-N 3.45Å; D771-R774 VanDerWaalsContact O-N 3.16Å; D771-R774 PolarHBondContact OD1-N 3.01Å; D771-R774 VanDerWaalsContact OD2-CB 3.28Å; D771-R774 WeakPolarHBondContact OD2-CB 3.42Å; R774-S776 PolarHBondContact O-N 2.9Å; R774-K777 PolarHBondContact O-N 3.26Å; R774-M778 HydrophobicContact CG-SD 4.04Å; R774-M778 WeakPolarHBondContact O-CG 3.47Å; R774-M778 PolarHBondContact O-N 2.89Å
775W98.3Very high98.1Very high13 Ų1339 Ų395%0.04919%0.189CC..Hα-helixtrans-58.1-51.2-180-172.9-93.4000111.7D639 L665 F687 V765 A768 Y769 D771 K777 M778 V779D639-W775 HydrophobicContact CB-CZ2 3.99Å; D639-W775 WeakPolarHBondContact O-CZ2 3.43Å; L665-W775 HydrophobicContact CB-CH2 4.26Å; L665-W775 HydrophobicContact CB-CZ2 4.46Å; L665-W775 HydrophobicContact CD1-CD2 3.8Å; L665-W775 HydrophobicContact CD1-CE3 3.59Å; L665-W775 HydrophobicContact CD1-CH2 3.65Å; L665-W775 HydrophobicContact CD1-CZ2 3.8Å; L665-W775 HydrophobicContact CD1-CZ3 3.55Å; L665-W775 HydrophobicContact CG-CH2 4.09Å; L665-W775 HydrophobicContact CG-CZ2 3.97Å; L665-W775 HydrophobicContact CG-CZ3 4.47Å; F687-W775 HydrophobicContact CE2-CZ3 4.24Å; F687-W775 HydrophobicContact CZ-CZ3 4.16Å; V765-W775 HydrophobicContact CG1-CH2 4.22Å; V765-W775 HydrophobicContact CG1-CZ3 4.07Å; A768-W775 HydrophobicContact CB-CE3 4.11Å; A768-W775 HydrophobicContact CB-CZ3 4.44Å; Y769-W775 AromaticContact CD2-CD2 3.63Å; Y769-W775 HydrophobicContact CD2-CD2 3.63Å; Y769-W775 AromaticContact CD2-CE2 3.54Å; Y769-W775 AromaticContact CD2-CE3 3.76Å; Y769-W775 HydrophobicContact CD2-CE3 3.76Å; Y769-W775 HydrophobicContact CD2-CG 4.29Å; Y769-W775 AromaticContact CD2-CH2 3.76Å; Y769-W775 HydrophobicContact CD2-CH2 3.76Å; Y769-W775 AromaticContact CD2-CZ2 3.65Å; Y769-W775 HydrophobicContact CD2-CZ2 3.65Å; Y769-W775 AromaticContact CD2-CZ3 3.8Å; Y769-W775 HydrophobicContact CD2-CZ3 3.8Å; Y769-W775 HydrophobicContact CE2-CD2 4.34Å; Y769-W775 AromaticContact CE2-CE2 3.86Å; Y769-W775 HydrophobicContact CE2-CH2 4.45Å; Y769-W775 AromaticContact CE2-CZ2 3.96Å; Y769-W775 HydrophobicContact CE2-CZ2 3.96Å; Y769-W775 HydrophobicContact CG-CE3 4.38Å; Y769-W775 HydrophobicContact CG-CZ3 4.44Å; D771-W775 WeakPolarHBondContact O-CB 3.46Å; D771-W775 PolarHBondContact O-N 3.46Å; W775-K777 VanDerWaalsContact C-N 3.3Å; W775-K777 PolarHBondContact O-N 3.44Å; W775-M778 WeakPolarHBondContact O-CB 3.34Å; W775-M778 PolarHBondContact O-N 3.34Å; W775-M778 VanDerWaalsContact O-N 3.12Å; W775-V779 WeakPolarHBondContact O-CG2 3.46Å; W775-V779 PolarHBondContact O-N 3.11Å
776S98.3Very high98Very high5 Ų539.1 Ų39.14%0.03519%0.19CC..Hα-helixtrans-63-33.5-179.359.40000113.4R509 E772 V773 R774 L780R509-S776 WeakPolarHBondContact CD-OG 3.32Å; E772-S776 VanDerWaalsContact O-CB 3.25Å; E772-S776 WeakPolarHBondContact O-CB 3.3Å; E772-S776 PolarHBondContact O-N 3.48Å; E772-S776 PolarHBondContact O-OG 3.38Å; V773-S776 PolarHBondContact O-OG 2.89Å; V773-S776 VanDerWaalsContact O-OG 3.1Å; R774-S776 PolarHBondContact O-N 2.9Å; S776-L780 PolarHBondContact O-N 2.95Å; S776-L780 VanDerWaalsContact O-N 3.08Å
777K98.4Very high98Very high70 Ų7037.9 Ų37.930%0.30418%0.184SC..Hα-helixtrans-66.1-45.1172-76.8-176.4177.6-166.60112.1L503 N504 V773 R774 W775 V779 L780 M781L503-K777 WeakPolarHBondContact O-CE 3.48Å; N504-K777 PolarHBondContact OD1-NZ 3.38Å; V773-K777 HydrophobicContact CG1-CD 4.47Å; V773-K777 WeakPolarHBondContact O-CB 3.43Å; V773-K777 WeakPolarHBondContact O-CG 3.32Å; V773-K777 PolarHBondContact O-N 3.36Å; V773-K777 VanDerWaalsContact O-N 3.13Å; R774-K777 PolarHBondContact O-N 3.26Å; W775-K777 VanDerWaalsContact C-N 3.3Å; W775-K777 PolarHBondContact O-N 3.44Å; K777-V779 VanDerWaalsContact C-N 3.31Å; K777-V779 PolarHBondContact O-N 2.93Å; K777-L780 PolarHBondContact O-N 3.28Å; K777-M781 WeakPolarHBondContact O-CB 3.49Å; K777-M781 PolarHBondContact O-N 2.89Å
778M98.6Very high98Very high4 Ų437 Ų372%0.0217%0.172CC..Hα-helixtrans-61-42.8176.8-66.3171.974.400111L665 F687 A768 R774 W775 M781 N782L665-M778 HydrophobicContact CD1-CB 3.8Å; L665-M778 HydrophobicContact CD1-CE 3.84Å; L665-M778 HydrophobicContact CD1-SD 4.1Å; L665-M778 HydrophobicContact CD2-CB 3.76Å; L665-M778 HydrophobicContact CG-CB 4.48Å; F687-M778 HydrophobicContact CE1-CE 4.21Å; F687-M778 HydrophobicContact CE2-CE 4.01Å; F687-M778 HydrophobicContact CZ-CE 3.67Å; A768-M778 HydrophobicContact CB-SD 4.38Å; R774-M778 HydrophobicContact CG-SD 4.04Å; R774-M778 WeakPolarHBondContact O-CG 3.47Å; R774-M778 PolarHBondContact O-N 2.89Å; W775-M778 WeakPolarHBondContact O-CB 3.34Å; W775-M778 PolarHBondContact O-N 3.34Å; W775-M778 VanDerWaalsContact O-N 3.12Å; M778-M781 PolarHBondContact O-N 3.45Å; M778-N782 PolarHBondContact O-N 3.08Å; M778-N782 PolarHBondContact O-ND2 2.99Å
779V98.7Very high98Very high4 Ų437.1 Ų37.12%0.02417%0.172CC..Hα-helixtrans-59.1-50.8177.8167.80000110.8L512 G663 L665 W775 K777 M781 N782 I783L512-V779 HydrophobicContact CD2-CG1 3.93Å; L512-V779 HydrophobicContact CG-CG1 4.25Å; G663-V779 WeakPolarHBondContact O-CG1 3.16Å; G663-V779 WeakPolarHBondContact O-CG2 3.29Å; L665-V779 HydrophobicContact CD2-CG2 4.05Å; L665-V779 HydrophobicContact CG-CG2 4.25Å; W775-V779 WeakPolarHBondContact O-CG2 3.46Å; W775-V779 PolarHBondContact O-N 3.11Å; K777-V779 VanDerWaalsContact C-N 3.31Å; K777-V779 PolarHBondContact O-N 2.93Å; V779-M781 VanDerWaalsContact C-N 3.32Å; V779-M781 PolarHBondContact O-N 3.42Å; V779-N782 PolarHBondContact O-N 3.24Å; V779-I783 HydrophobicContact CG1-CD1 4.2Å; V779-I783 WeakPolarHBondContact O-CG1 3.24Å; V779-I783 PolarHBondContact O-N 3.3Å; V779-I783 VanDerWaalsContact O-N 3.17Å
780L98.5Very high98Very high1 Ų134.9 Ų34.91%0.00516%0.164CC..Hα-helixtrans-61.6-40.7178.3177.750.9000112.1L499 K502 L503 F508 R509 L512 S776 K777 N782 I783 A784L499-L780 HydrophobicContact CB-CD1 3.94Å; K502-L780 HydrophobicContact CB-CD2 4.16Å; L503-L780 HydrophobicContact CD2-CB 4.19Å; L503-L780 HydrophobicContact CD2-CD2 4.12Å; L503-L780 HydrophobicContact CD2-CG 4.05Å; L503-L780 HydrophobicContact CG-CD2 4.41Å; F508-L780 HydrophobicContact CD1-CD1 4.48Å; F508-L780 HydrophobicContact CD1-CD2 3.84Å; F508-L780 HydrophobicContact CE1-CD1 3.57Å; F508-L780 HydrophobicContact CE1-CD2 3.76Å; F508-L780 HydrophobicContact CE1-CG 4.29Å; F508-L780 HydrophobicContact CZ-CD1 4.3Å; R509-L780 HydrophobicContact CG-CD2 4.42Å; L512-L780 HydrophobicContact CD2-CB 3.83Å; L512-L780 HydrophobicContact CD2-CD1 4.26Å; S776-L780 PolarHBondContact O-N 2.95Å; S776-L780 VanDerWaalsContact O-N 3.08Å; K777-L780 PolarHBondContact O-N 3.28Å; L780-N782 VanDerWaalsContact C-N 3.33Å; L780-N782 PolarHBondContact O-N 3.33Å; L780-I783 PolarHBondContact O-N 3.23Å; L780-A784 WeakPolarHBondContact O-CB 3.44Å; L780-A784 PolarHBondContact O-N 3.06Å
781M98.4Very high98.1Very high27 Ų2729 Ų2913%0.13314%0.138CC..Hα-helixtrans-62.8-40.1178.3-172.560.6-167.900112.2K500 L503 N685 K777 M778 V779 A784 A785K500-M781 HydrophobicContact CD-CE 4.21Å; K500-M781 HydrophobicContact CD-SD 4.09Å; K500-M781 VanDerWaalsContact CE-CE 3.42Å; K500-M781 HydrophobicContact CG-SD 3.98Å; L503-M781 HydrophobicContact CD1-SD 4.32Å; L503-M781 HydrophobicContact CD2-CB 4.29Å; N685-M781 HydrophobicContact CB-CG 4.38Å; N685-M781 WeakPolarHBondContact ND2-CG 3.29Å; K777-M781 WeakPolarHBondContact O-CB 3.49Å; K777-M781 PolarHBondContact O-N 2.89Å; M778-M781 PolarHBondContact O-N 3.45Å; V779-M781 VanDerWaalsContact C-N 3.32Å; V779-M781 PolarHBondContact O-N 3.42Å; M781-A784 PolarHBondContact O-N 2.93Å; M781-A785 WeakPolarHBondContact O-CB 3.37Å; M781-A785 PolarHBondContact O-N 2.92Å
782N98.7Very high98.1Very high0 Ų025.3 Ų25.30%012%0.119CC..Hα-helixtrans-62-46.7176.1-84.9-99.4000111.6M660 L665 V681 N685 M778 V779 L780 A784 A785 A786M660-N782 VanDerWaalsContact CE-O 3.3Å; M660-N782 WeakPolarHBondContact CE-O 3.4Å; M660-N782 HydrophobicContact CG-CB 4.22Å; M660-N782 WeakPolarHBondContact CG-O 3.49Å; L665-N782 WeakPolarHBondContact CD2-ND2 3.35Å; V681-N782 HydrophobicContact CG1-CB 4.46Å; N685-N782 PolarHBondContact O-ND2 3.48Å; M778-N782 PolarHBondContact O-N 3.08Å; M778-N782 PolarHBondContact O-ND2 2.99Å; V779-N782 PolarHBondContact O-N 3.24Å; L780-N782 VanDerWaalsContact C-N 3.33Å; L780-N782 PolarHBondContact O-N 3.33Å; N782-A784 PolarHBondContact O-N 2.99Å; N782-A785 PolarHBondContact O-N 3.3Å; N782-A786 PolarHBondContact O-N 2.94Å
783I98.6Very high98.2Very high2 Ų219.3 Ų19.31%0.019%0.089CC..Hα-helixtrans-61.8-46.8177-63.1167.7000110.4L476 I480 L499 L512 V779 L780 A785 A786L476-I783 HydrophobicContact CD1-CD1 4.19Å; L476-I783 HydrophobicContact CD2-CD1 4.09Å; I480-I783 HydrophobicContact CD1-CG2 4.38Å; L499-I783 HydrophobicContact CD1-CG2 4.06Å; L512-I783 HydrophobicContact CD1-CD1 3.72Å; L512-I783 HydrophobicContact CD2-CD1 4.24Å; V779-I783 HydrophobicContact CG1-CD1 4.2Å; V779-I783 WeakPolarHBondContact O-CG1 3.24Å; V779-I783 PolarHBondContact O-N 3.3Å; V779-I783 VanDerWaalsContact O-N 3.17Å; L780-I783 PolarHBondContact O-N 3.23Å; I783-A785 VanDerWaalsContact C-N 3.27Å; I783-A785 PolarHBondContact O-N 3.34Å; I783-A786 WeakPolarHBondContact O-CB 3.34Å; I783-A786 PolarHBondContact O-N 2.93Å; I783-A786 VanDerWaalsContact O-N 3.14Å
784A98Very high98.2Very high0 Ų015.6 Ų15.60%07%0.067CC..Hα-helixtrans-63.8-32.9-176.800000112.7L496 N497 L499 K500 L780 M781 N782L496-A784 CarbonylContact C-O 3.54Å; L496-A784 VanDerWaalsContact C-O 3.25Å; L496-A784 WeakPolarHBondContact O-CA 3.4Å; L496-A784 WeakPolarHBondContact O-CB 3.34Å; N497-A784 VanDerWaalsContact CA-O 3.26Å; N497-A784 WeakPolarHBondContact CA-O 3.29Å; N497-A784 PolarHBondContact N-O 3.13Å; N497-A784 VanDerWaalsContact N-O 3.09Å; N497-A784 PolarHBondContact OD1-O 3.12Å; L499-A784 HydrophobicContact CB-CB 3.95Å; K500-A784 HydrophobicContact CG-CB 3.77Å; L780-A784 WeakPolarHBondContact O-CB 3.44Å; L780-A784 PolarHBondContact O-N 3.06Å; M781-A784 PolarHBondContact O-N 2.93Å; N782-A784 PolarHBondContact O-N 2.99Å
785A98Very high98.2Very high1 Ų110.4 Ų10.41%0.0085%0.047CC..Hα-helixtrans-85.1-5.9178.600000113.9M660 E680 V681 M781 N782 I783 G787M660-A785 VanDerWaalsContact CE-C 3.48Å; M660-A785 HydrophobicContact CE-CB 3.69Å; E680-A785 HydrophobicContact CB-CB 4.23Å; E680-A785 WeakPolarHBondContact O-CB 3.34Å; V681-A785 HydrophobicContact CG1-CB 3.96Å; M781-A785 WeakPolarHBondContact O-CB 3.37Å; M781-A785 PolarHBondContact O-N 2.92Å; N782-A785 PolarHBondContact O-N 3.3Å; I783-A785 VanDerWaalsContact C-N 3.27Å; I783-A785 PolarHBondContact O-N 3.34Å; A785-G787 PolarHBondContact O-N 3.35Å; A785-G787 VanDerWaalsContact O-N 3.11Å
786A98.1Very high98.2Very high3 Ų314.7 Ų14.73%0.0256%0.063CC..G310 helixtrans-70.6-10.4-171.500000114.2M660 L661 N782 I783 K788 F789M660-A786 HydrophobicContact CE-CB 4.25Å; M660-A786 HydrophobicContact CG-CB 4.18Å; M660-A786 HydrophobicContact SD-CB 4.31Å; L661-A786 HydrophobicContact CB-CB 4.11Å; L661-A786 HydrophobicContact CD1-CB 3.67Å; N782-A786 PolarHBondContact O-N 2.94Å; I783-A786 WeakPolarHBondContact O-CB 3.34Å; I783-A786 PolarHBondContact O-N 2.93Å; I783-A786 VanDerWaalsContact O-N 3.14Å; A786-K788 VanDerWaalsContact C-N 3.3Å; A786-K788 PolarHBondContact O-N 3.47Å; A786-F789 PolarHBondContact O-N 3.35Å
787G97.4Very high98.2Very high1 Ų116.8 Ų16.81%0.017%0.073CC..G310 helixtrans-55.4-36.4-172.400000115.7L493 A785 F789 S790L493-G787 VanDerWaalsContact C-CA 3.43Å; L493-G787 WeakPolarHBondContact O-CA 3.27Å; A785-G787 PolarHBondContact O-N 3.35Å; A785-G787 VanDerWaalsContact O-N 3.11Å; G787-F789 PolarHBondContact O-N 3.42Å; G787-S790 PolarHBondContact O-N 2.85Å
788K97.1Very high98.2Very high52 Ų5213.5 Ų13.523%0.2266%0.058CC..G310 helixtrans-60.4-28.4177.7-179.7176.8180-178.10112.9E676 E680 A786 S790 R793E676-K788 IonicContact OE1-NZ 3.44Å; E680-K788 VanDerWaalsContact CD-CD 3.45Å; E680-K788 HydrophobicContact CG-CB 4.41Å; E680-K788 HydrophobicContact CG-CD 3.72Å; E680-K788 WeakPolarHBondContact OE1-CD 3.3Å; E680-K788 IonicContact OE1-NZ 2.88Å; E680-K788 PolarHBondContact OE1-NZ 2.94Å; A786-K788 VanDerWaalsContact C-N 3.3Å; A786-K788 PolarHBondContact O-N 3.47Å; K788-S790 VanDerWaalsContact C-N 3.28Å; K788-S790 PolarHBondContact O-N 3.44Å; K788-R793 VanDerWaalsContact O-CZ 3.31Å; K788-R793 PolarHBondContact O-NE 3.39Å; K788-R793 PolarHBondContact O-NH2 3.23Å
789F98.2Very high98.2Very high2 Ų213.6 Ų13.61%0.0096%0.06CC..G310 helixtrans-90.115.3-173-55.5-67.6000113.6G462 I463 M657 M660 E676 I677 E680 A786 G787G462-F789 CarbonylContact C-O 3.52Å; G462-F789 WeakPolarHBondContact CA-O 3.35Å; I463-F789 WeakPolarHBondContact CG1-O 3.36Å; I463-F789 PolarHBondContact N-O 3.47Å; M657-F789 HydrophobicContact CB-CB 3.97Å; M657-F789 HydrophobicContact CB-CG 4.41Å; M657-F789 HydrophobicContact CE-CD1 3.74Å; M657-F789 HydrophobicContact CE-CE1 4.33Å; M657-F789 HydrophobicContact CG-CB 3.79Å; M657-F789 HydrophobicContact CG-CD1 3.88Å; M657-F789 HydrophobicContact CG-CG 3.86Å; M657-F789 HydrophobicContact SD-CB 3.92Å; M657-F789 HydrophobicContact SD-CD1 3.96Å; M657-F789 HydrophobicContact SD-CG 4.26Å; M660-F789 HydrophobicContact CE-CD2 4.23Å; M660-F789 HydrophobicContact CE-CE2 3.89Å; M660-F789 HydrophobicContact SD-CD2 3.61Å; M660-F789 HydrophobicContact SD-CE2 3.54Å; M660-F789 VanDerWaalsContact SD-CE2 3.54Å; E676-F789 HydrophobicContact CB-CE1 4.01Å; E676-F789 HydrophobicContact CB-CZ 4.09Å; I677-F789 HydrophobicContact CB-CE2 4.47Å; I677-F789 HydrophobicContact CB-CZ 4.27Å; I677-F789 HydrophobicContact CG1-CD2 4.38Å; I677-F789 HydrophobicContact CG1-CE1 4.06Å; I677-F789 HydrophobicContact CG1-CE2 3.7Å; I677-F789 HydrophobicContact CG1-CZ 3.52Å; E680-F789 HydrophobicContact CB-CE2 4.35Å; E680-F789 HydrophobicContact CG-CE2 4.05Å; E680-F789 HydrophobicContact CG-CZ 4.02Å; A786-F789 PolarHBondContact O-N 3.35Å; G787-F789 PolarHBondContact O-N 3.42Å
790S98.4Very high98.1Very high3 Ų320.9 Ų20.92%0.0219%0.087CC..BIsolated β-bridgetrans-67.2134.7168.5178.40000111.4I463 G787 K788 D792 R793 T794I463-S790 WeakPolarHBondContact O-CA 3.35Å; G787-S790 PolarHBondContact O-N 2.85Å; K788-S790 VanDerWaalsContact C-N 3.28Å; K788-S790 PolarHBondContact O-N 3.44Å; S790-D792 PolarHBondContact O-N 3.22Å; S790-D792 WeakPolarHBondContact OG-CB 3.15Å; S790-D792 PolarHBondContact OG-N 3.03Å; S790-D792 VanDerWaalsContact OG-N 3.08Å; S790-R793 PolarHBondContact O-N 3.46Å; S790-T794 PolarHBondContact O-N 3.44Å; S790-T794 PolarHBondContact O-OG1 2.67Å
791S98.5Very high98Very high0 Ų023.5 Ų23.50%010%0.101CC..Hα-helixtrans-63.7-21.6169.853.30000112S128 I463 S464 T794 V795S128-S791 VanDerWaalsContact OG-CB 3.3Å; S128-S791 WeakPolarHBondContact OG-CB 3.48Å; S128-S791 PolarHBondContact OG-OG 3.21Å; I463-S791 PolarHBondContact O-N 3.35Å; I463-S791 PolarHBondContact O-OG 3.3Å; S464-S791 VanDerWaalsContact CA-OG 3.3Å; S464-S791 WeakPolarHBondContact CA-OG 3.42Å; S464-S791 PolarHBondContact N-OG 2.87Å; S464-S791 VanDerWaalsContact N-OG 3.13Å; S791-T794 WeakPolarHBondContact O-CB 3.49Å; S791-T794 PolarHBondContact O-N 3.05Å; S791-V795 WeakPolarHBondContact O-CB 3.35Å; S791-V795 WeakPolarHBondContact O-CG2 3.49Å; S791-V795 PolarHBondContact O-N 3.34Å
792D98.3Very high98Very high0 Ų022.3 Ų22.30%010%0.095CC..Hα-helixtrans-67.1-38.8175.8-59.6-13.1000111.6S128 I132 R466 S790 T794 R796S128-D792 VanDerWaalsContact CB-OD1 3.28Å; S128-D792 WeakPolarHBondContact CB-OD1 3.36Å; S128-D792 PolarHBondContact OG-N 2.96Å; S128-D792 PolarHBondContact OG-OD1 3.49Å; I132-D792 HydrophobicContact CD1-CB 4.19Å; R466-D792 IonicContact CZ-OD1 3.69Å; R466-D792 VanDerWaalsContact CZ-OD1 3.29Å; R466-D792 IonicContact CZ-OD2 2.8Å; R466-D792 IonicContact NH1-OD1 2.6Å; R466-D792 PolarHBondContact NH1-OD1 3.37Å; R466-D792 IonicContact NH1-OD2 2.79Å; R466-D792 PolarHBondContact NH1-OD2 3.17Å; R466-D792 IonicContact NH2-OD1 3.57Å; R466-D792 PolarHBondContact NH2-OD1 2.97Å; S790-D792 PolarHBondContact O-N 3.22Å; S790-D792 WeakPolarHBondContact OG-CB 3.15Å; S790-D792 PolarHBondContact OG-N 3.03Å; S790-D792 VanDerWaalsContact OG-N 3.08Å; D792-T794 VanDerWaalsContact C-N 3.33Å; D792-R796 WeakPolarHBondContact O-CB 3.41Å; D792-R796 VanDerWaalsContact O-CG 3.25Å; D792-R796 WeakPolarHBondContact O-CG 3.46Å; D792-R796 PolarHBondContact O-N 3.19Å
793R98Very high97.9Very high30 Ų3022.3 Ų22.311%0.11310%0.095CC..Hα-helixtrans-60.8-49.4174179.9-84.5-56.3151.65.5109.5T460 N461 K788 S790 V795 R796 E797T460-R793 PolarHBondContact O-NH1 3.2Å; T460-R793 PolarHBondContact O-NH2 3Å; T460-R793 VanDerWaalsContact O-NH2 3.08Å; N461-R793 PolarHBondContact O-NH2 3.26Å; K788-R793 VanDerWaalsContact O-CZ 3.31Å; K788-R793 PolarHBondContact O-NE 3.39Å; K788-R793 PolarHBondContact O-NH2 3.23Å; S790-R793 PolarHBondContact O-N 3.46Å; R793-V795 PolarHBondContact O-N 3.22Å; R793-R796 PolarHBondContact O-N 2.87Å; R793-E797 WeakPolarHBondContact CD-OE1 3.36Å; R793-E797 WeakPolarHBondContact CD-OE2 3.31Å; R793-E797 IonicContact CZ-OE2 3.95Å; R793-E797 IonicContact NE-OE2 2.73Å; R793-E797 IonicContact NH1-OE2 3.66Å; R793-E797 PolarHBondContact NH1-OE2 2.93Å; R793-E797 WeakPolarHBondContact O-CG 3.16Å; R793-E797 PolarHBondContact O-N 3.05Å
794T98Very high97.8Very high0 Ų031 Ų310%013%0.128CC..Hα-helixtrans-57.2-51.1179.3-48.70000111.1F125 T460 G462 S790 S791 D792 R796 E797 Y798F125-T794 HydrophobicContact CE1-CG2 3.74Å; F125-T794 HydrophobicContact CZ-CG2 3.54Å; T460-T794 VanDerWaalsContact O-CG2 3.27Å; T460-T794 WeakPolarHBondContact O-CG2 3.13Å; T460-T794 PolarHBondContact O-OG1 2.82Å; T460-T794 VanDerWaalsContact O-OG1 3.06Å; G462-T794 PolarHBondContact N-OG1 3.25Å; S790-T794 PolarHBondContact O-N 3.44Å; S790-T794 PolarHBondContact O-OG1 2.67Å; S791-T794 WeakPolarHBondContact O-CB 3.49Å; S791-T794 PolarHBondContact O-N 3.05Å; D792-T794 VanDerWaalsContact C-N 3.33Å; T794-R796 PolarHBondContact O-N 2.82Å; T794-E797 WeakPolarHBondContact O-CB 3.48Å; T794-E797 PolarHBondContact O-N 3.27Å; T794-Y798 HydrophobicContact CG2-CD2 3.9Å; T794-Y798 HydrophobicContact CG2-CE2 3.63Å; T794-Y798 VanDerWaalsContact O-CD2 3.25Å; T794-Y798 WeakPolarHBondContact O-CD2 3.32Å; T794-Y798 PolarHBondContact O-N 2.94Å
795V98.3Very high97.8Very high0 Ų031.2 Ų31.20%013%0.129CC..Hα-helixtrans-65.7-37.9-179.2168.10000112.2F125 M129 I132 L134 S791 R793 E797 Y798 A799 W803F125-V795 HydrophobicContact CB-CG2 4.12Å; F125-V795 HydrophobicContact CD1-CG2 3.88Å; F125-V795 HydrophobicContact CE1-CG2 4.44Å; F125-V795 HydrophobicContact CG-CG2 3.95Å; M129-V795 HydrophobicContact CG-CG1 3.63Å; M129-V795 HydrophobicContact CG-CG2 4.46Å; I132-V795 HydrophobicContact CD1-CB 3.96Å; I132-V795 HydrophobicContact CD1-CG1 3.66Å; L134-V795 HydrophobicContact CD1-CG1 3.43Å; L134-V795 VanDerWaalsContact CD1-CG1 3.43Å; S791-V795 WeakPolarHBondContact O-CB 3.35Å; S791-V795 WeakPolarHBondContact O-CG2 3.49Å; S791-V795 PolarHBondContact O-N 3.34Å; R793-V795 PolarHBondContact O-N 3.22Å; V795-E797 VanDerWaalsContact C-N 3.31Å; V795-E797 PolarHBondContact O-N 3.2Å; V795-Y798 PolarHBondContact O-N 3.18Å; V795-A799 VanDerWaalsContact O-CB 3.28Å; V795-A799 WeakPolarHBondContact O-CB 3.19Å; V795-A799 PolarHBondContact O-N 3.01Å; V795-W803 HydrophobicContact CG1-CZ3 4.27Å
796R98Very high97.7Very high103 Ų10337.9 Ų37.939%0.38916%0.16SC..Hα-helixtrans-62-39.4173.1-74.4-178.4-167.3110.9-3.2112I132 K491 D792 R793 T794 A799 R800I132-R796 HydrophobicContact CD1-CG 3.79Å; I132-R796 HydrophobicContact CG1-CG 4.42Å; K491-R796 PolarHBondContact O-NH2 2.8Å; D792-R796 WeakPolarHBondContact O-CB 3.41Å; D792-R796 VanDerWaalsContact O-CG 3.25Å; D792-R796 WeakPolarHBondContact O-CG 3.46Å; D792-R796 PolarHBondContact O-N 3.19Å; R793-R796 PolarHBondContact O-N 2.87Å; T794-R796 PolarHBondContact O-N 2.82Å; R796-A799 PolarHBondContact O-N 3.43Å; R796-R800 WeakPolarHBondContact O-CB 2.84Å; R796-R800 PolarHBondContact O-N 2.82Å
797E97.9Very high97.5Very high50 Ų5040.6 Ų40.623%0.23418%0.178CC..Hα-helixtrans-65.6-44.6175.1-69.1169.216600111.4K459 R793 T794 V795 R800 D801K459-E797 HydrophobicContact CD-CB 3.54Å; K459-E797 VanDerWaalsContact CE-C 3.41Å; K459-E797 VanDerWaalsContact CE-O 3.3Å; K459-E797 WeakPolarHBondContact CE-O 3.4Å; R793-E797 WeakPolarHBondContact CD-OE1 3.36Å; R793-E797 WeakPolarHBondContact CD-OE2 3.31Å; R793-E797 IonicContact CZ-OE2 3.95Å; R793-E797 IonicContact NE-OE2 2.73Å; R793-E797 IonicContact NH1-OE2 3.66Å; R793-E797 PolarHBondContact NH1-OE2 2.93Å; R793-E797 WeakPolarHBondContact O-CG 3.16Å; R793-E797 PolarHBondContact O-N 3.05Å; T794-E797 WeakPolarHBondContact O-CB 3.48Å; T794-E797 PolarHBondContact O-N 3.27Å; V795-E797 VanDerWaalsContact C-N 3.31Å; V795-E797 PolarHBondContact O-N 3.2Å; E797-R800 PolarHBondContact O-N 3.32Å; E797-D801 VanDerWaalsContact O-CB 3.24Å; E797-D801 WeakPolarHBondContact O-CB 3.3Å; E797-D801 VanDerWaalsContact O-CG 3.26Å; E797-D801 PolarHBondContact O-N 2.85Å
798Y98.4Very high97.3Very high0 Ų042.2 Ų42.20%019%0.186CC..Hα-helixtrans-58.7-48.1173.4-85.1-80.9000111.6F125 H313 T352 N430 K459 T794 V795 R800 I802 W803F125-Y798 HydrophobicContact CE2-CD2 4.39Å; F125-Y798 AromaticContact CE2-CE2 3.8Å; F125-Y798 HydrophobicContact CE2-CE2 3.8Å; F125-Y798 AromaticContact CZ-CE2 3.9Å; F125-Y798 HydrophobicContact CZ-CE2 3.9Å; H313-Y798 AromaticContact CE1-CE1 3.57Å; H313-Y798 AromaticContact NE2-CE1 3.91Å; T352-Y798 PolarHBondContact OG1-OH 3.43Å; T352-Y798 VanDerWaalsContact OG1-OH 3.05Å; N430-Y798 PolarHBondContact ND2-OH 3.49Å; N430-Y798 WeakPolarHBondContact OD1-CE1 3.32Å; K459-Y798 HydrophobicContact CB-CD2 4.04Å; K459-Y798 HydrophobicContact CB-CE1 4.1Å; K459-Y798 HydrophobicContact CB-CE2 3.37Å; K459-Y798 VanDerWaalsContact CB-CZ 3.41Å; K459-Y798 HydrophobicContact CD-CD1 4.49Å; K459-Y798 HydrophobicContact CD-CD2 4.09Å; K459-Y798 HydrophobicContact CD-CE2 4.29Å; K459-Y798 HydrophobicContact CD-CG 4.18Å; K459-Y798 HydrophobicContact CG-CD1 4.01Å; K459-Y798 HydrophobicContact CG-CD2 3.96Å; K459-Y798 HydrophobicContact CG-CE1 3.76Å; K459-Y798 HydrophobicContact CG-CE2 3.71Å; K459-Y798 HydrophobicContact CG-CG 4.1Å; T794-Y798 HydrophobicContact CG2-CD2 3.9Å; T794-Y798 HydrophobicContact CG2-CE2 3.63Å; T794-Y798 VanDerWaalsContact O-CD2 3.25Å; T794-Y798 WeakPolarHBondContact O-CD2 3.32Å; T794-Y798 PolarHBondContact O-N 2.94Å; V795-Y798 PolarHBondContact O-N 3.18Å; Y798-R800 PolarHBondContact O-N 2.93Å; Y798-I802 HydrophobicContact CD1-CB 4.49Å; Y798-I802 HydrophobicContact CD1-CD1 3.73Å; Y798-I802 HydrophobicContact CE1-CD1 3.95Å; Y798-I802 WeakPolarHBondContact O-CA 3.39Å; Y798-I802 WeakPolarHBondContact O-CB 3.35Å; Y798-I802 PolarHBondContact O-N 3.23Å; Y798-W803 AromaticContact CD1-CE2 3.94Å; Y798-W803 HydrophobicContact CD1-CH2 4.44Å; Y798-W803 AromaticContact CD1-CZ2 3.76Å; Y798-W803 HydrophobicContact CD1-CZ2 3.76Å; Y798-W803 AromaticContact CG-CH2 4Å; Y798-W803 HydrophobicContact CG-CH2 4Å; Y798-W803 AromaticContact CG-CZ2 3.78Å; Y798-W803 HydrophobicContact CG-CZ2 3.78Å; Y798-W803 PolarHBondContact O-N 3.42Å
799A98.1Very high96.9Very high6 Ų645.5 Ų45.55%0.0521%0.21CC..Iπ-helixtrans-58.2-45.6-179.100000112.2L134 V795 R796 W803 R804 V805L134-A799 HydrophobicContact CD1-CB 3.75Å; L134-A799 HydrophobicContact CD2-CB 4.02Å; V795-A799 VanDerWaalsContact O-CB 3.28Å; V795-A799 WeakPolarHBondContact O-CB 3.19Å; V795-A799 PolarHBondContact O-N 3.01Å; R796-A799 PolarHBondContact O-N 3.43Å; A799-W803 HydrophobicContact CB-CE3 4.24Å; A799-R804 WeakPolarHBondContact O-CA 3.45Å; A799-R804 PolarHBondContact O-N 3.17Å; A799-V805 PolarHBondContact O-N 2.91Å
800R97.7Very high96.1Very high157 Ų15746 Ų4659%0.59221%0.213SC*.Iπ-helixtrans-75.2-52.1-179.6-174.5-172.165.9-148.5-9.9112.9R796 E797 Y798R796-R800 WeakPolarHBondContact O-CB 2.84Å; R796-R800 PolarHBondContact O-N 2.82Å; E797-R800 PolarHBondContact O-N 3.32Å; Y798-R800 PolarHBondContact O-N 2.93Å
801D96.9Very high95.1Very high57 Ų5754.5 Ų54.531%0.30525%0.25SC..Iπ-helixtrans-87-30.2-165.2-54.8-24.1000112.7K459 E797K459-D801 IonicContact NZ-OD2 2.67Å; K459-D801 PolarHBondContact NZ-OD2 3.13Å; E797-D801 VanDerWaalsContact O-CB 3.24Å; E797-D801 WeakPolarHBondContact O-CB 3.3Å; E797-D801 VanDerWaalsContact O-CG 3.26Å; E797-D801 PolarHBondContact O-N 2.85Å
802I96.6Very high93.5Very high1 Ų161.8 Ų61.81%0.00528%0.284CS..Iπ-helixtrans-115.5-61.6-169-64.7178.6000110.7T350 F428 N430 K459 Y798T350-I802 HydrophobicContact CG2-CG2 3.55Å; F428-I802 HydrophobicContact CB-CG1 4.42Å; F428-I802 HydrophobicContact CB-CG2 3.93Å; F428-I802 HydrophobicContact CD2-CB 4.27Å; F428-I802 HydrophobicContact CD2-CG1 4.41Å; F428-I802 HydrophobicContact CD2-CG2 3.89Å; F428-I802 HydrophobicContact CG-CG1 4.26Å; F428-I802 HydrophobicContact CG-CG2 4.15Å; N430-I802 HydrophobicContact CB-CD1 4.26Å; K459-I802 HydrophobicContact CD-CD1 4.41Å; K459-I802 HydrophobicContact CG-CD1 3.9Å; Y798-I802 HydrophobicContact CD1-CB 4.49Å; Y798-I802 HydrophobicContact CD1-CD1 3.73Å; Y798-I802 HydrophobicContact CE1-CD1 3.95Å; Y798-I802 WeakPolarHBondContact O-CA 3.39Å; Y798-I802 WeakPolarHBondContact O-CB 3.35Å; Y798-I802 PolarHBondContact O-N 3.23Å
803W97.7Very high91.5Very high0 Ų064.4 Ų64.40%030%0.302CS..Iπ-helixtrans-74.8-31.6-172.2-60.9-25.7000113.1K62 V64 F66 M129 V311 H313 V795 Y798 A799 V805K62-W803 WeakPolarHBondContact CE-O 3.21Å; K62-W803 PolarHBondContact NZ-O 2.92Å; V64-W803 HydrophobicContact CG1-CD2 4.03Å; V64-W803 HydrophobicContact CG1-CE3 4.05Å; V64-W803 HydrophobicContact CG1-CH2 4.27Å; V64-W803 HydrophobicContact CG1-CZ2 4.23Å; V64-W803 HydrophobicContact CG1-CZ3 4.17Å; V64-W803 HydrophobicContact CG2-CB 4.4Å; V64-W803 HydrophobicContact CG2-CD2 4.05Å; V64-W803 HydrophobicContact CG2-CE3 3.75Å; V64-W803 HydrophobicContact CG2-CG 4.34Å; V64-W803 HydrophobicContact CG2-CZ3 4.38Å; F66-W803 HydrophobicContact CD2-CZ2 4.38Å; M129-W803 HydrophobicContact SD-CH2 4.15Å; M129-W803 HydrophobicContact SD-CZ3 4.05Å; V311-W803 HydrophobicContact CG1-CB 3.87Å; V311-W803 HydrophobicContact CG1-CG 3.97Å; V311-W803 HydrophobicContact CG2-CG 4.49Å; H313-W803 HydrophobicContact CB-CZ2 4.5Å; H313-W803 AromaticContact CG-NE1 3.71Å; H313-W803 AromaticContact ND1-NE1 3.23Å; H313-W803 PolarHBondContact ND1-NE1 2.93Å; V795-W803 HydrophobicContact CG1-CZ3 4.27Å; Y798-W803 AromaticContact CD1-CE2 3.94Å; Y798-W803 HydrophobicContact CD1-CH2 4.44Å; Y798-W803 AromaticContact CD1-CZ2 3.76Å; Y798-W803 HydrophobicContact CD1-CZ2 3.76Å; Y798-W803 AromaticContact CG-CH2 4Å; Y798-W803 HydrophobicContact CG-CH2 4Å; Y798-W803 AromaticContact CG-CZ2 3.78Å; Y798-W803 HydrophobicContact CG-CZ2 3.78Å; Y798-W803 PolarHBondContact O-N 3.42Å; A799-W803 HydrophobicContact CB-CE3 4.24Å; W803-V805 HydrophobicContact CB-CB 4.42Å; W803-V805 HydrophobicContact CB-CG2 3.93Å
804R96.7Very high88.8Confident184 Ų18471 Ų7169%0.69434%0.338SS*.  trans55.454.2-171.8-55.2-178.2-179.5-170.7-0111.3A799A799-R804 WeakPolarHBondContact O-CA 3.45Å; A799-R804 PolarHBondContact O-N 3.17Å
805V97.1Very high86.1Confident5 Ų576.5 Ų76.53%0.0336%0.361CS..  trans-121.8130.6-1791780000109K62 V64 L134 P135 V311 A799 W803K62-V805 HydrophobicContact CB-CG2 4.06Å; K62-V805 HydrophobicContact CD-CG2 3.92Å; K62-V805 HydrophobicContact CG-CG2 3.85Å; K62-V805 VanDerWaalsContact O-CG1 3.3Å; K62-V805 WeakPolarHBondContact O-CG1 3.33Å; V64-V805 HydrophobicContact CG2-CB 4.17Å; V64-V805 HydrophobicContact CG2-CG1 4.23Å; V64-V805 HydrophobicContact CG2-CG2 3.81Å; L134-V805 HydrophobicContact CD2-CG1 4.09Å; P135-V805 HydrophobicContact CG-CG1 3.75Å; V311-V805 HydrophobicContact CG1-CG2 4.36Å; A799-V805 PolarHBondContact O-N 2.91Å; W803-V805 HydrophobicContact CB-CB 4.42Å; W803-V805 HydrophobicContact CB-CG2 3.93Å
806E95.5Very high83.3Confident141 Ų14185.6 Ų85.666%0.65940%0.397SS*.  trans-98.3149178.8-66.5-60.9151.400111.5
807P95.1Very high80.1Confident61 Ų6185.5 Ų85.540%0.39641%0.405SS..  trans-67.7146.9174.6-16.630.6000112.7I132 G133 L134I132-P807 HydrophobicContact CG2-CB 4.19Å; I132-P807 HydrophobicContact CG2-CG 3.73Å; I132-P807 WeakPolarHBondContact O-CB 3.35Å; G133-P807 WeakPolarHBondContact O-CA 3.43Å; L134-P807 HydrophobicContact CD2-CB 4.42Å; L134-P807 HydrophobicContact CD2-CG 4.02Å
808I93.5Very high77.4Confident34 Ų3490.6 Ų90.617%0.17443%0.432CS..  trans-119.3134173-61.8-173.8000110L55 E59 P61 G133L55-I808 HydrophobicContact CD2-CG2 3.5Å; L55-I808 VanDerWaalsContact CD2-CG2 3.5Å; L55-I808 HydrophobicContact CG-CG2 4.1Å; E59-I808 HydrophobicContact CB-CD1 4.18Å; P61-I808 HydrophobicContact CB-CD1 3.52Å; P61-I808 HydrophobicContact CG-CD1 3.76Å; G133-I808 PolarHBondContact O-N 3.31Å
809V88.2Confident74.5Confident122 Ų12298.5 Ų98.574%0.73947%0.469SS*.  trans-88.8111.1178.9-177.80000110.4K811V809-K811 PolarHBondContact O-N 3.09Å
810V82Confident71.3Confident12 Ų12104.9 Ų104.97%0.07350%0.503CS..PPolyproline II helixtrans-72.1117166.9-176.60000108.8K51 T52 L55 Q219K51-V810 HydrophobicContact CB-CG1 4.31Å; T52-V810 HydrophobicContact CG2-CG2 4.4Å; L55-V810 HydrophobicContact CD2-CB 4.1Å; L55-V810 HydrophobicContact CD2-CG2 3.57Å; Q219-V810 HydrophobicContact CB-CB 3.78Å; Q219-V810 HydrophobicContact CB-CG1 3.69Å; Q219-V810 WeakPolarHBondContact CB-O 3.41Å
811K76.7Confident68.1Low181 Ų181104.4 Ų104.479%0.78751%0.512SS*.PPolyproline II helixtrans-74.4144.3178.7-68180-178.3171.70111.2V809 S813V809-K811 PolarHBondContact O-N 3.09Å; K811-S813 PolarHBondContact O-N 2.85Å
812E65.4Low64.9Low154 Ų154110 Ų11072%0.7254%0.536SS*.PPolyproline II helixtrans-65.1128.9167.1-87179.3175.500110.1Q219Q219-E812 VanDerWaalsContact CD-CG 3.46Å; Q219-E812 HydrophobicContact CG-CG 3.53Å; Q219-E812 PolarHBondContact NE2-OE1 3.09Å
813S55.6Low61.8Low54 Ų54117.9 Ų117.938%0.37858%0.578SS.*PPolyproline II helixtrans-84.7140.5169.282.50000109.2K51 K811 K815K51-S813 WeakPolarHBondContact CE-OG 3.16Å; K51-S813 VanDerWaalsContact NZ-CB 3.35Å; K51-S813 PolarHBondContact NZ-OG 2.9Å; K811-S813 PolarHBondContact O-N 2.85Å; S813-K815 PolarHBondContact O-N 2.69Å
814I40.8Very low58.5Low169 Ų169127.3 Ų127.387%0.86762%0.621SS**PPolyproline II helixtrans-56.5137.7166-59.2171.7000108Y816I814-Y816 PolarHBondContact O-N 3.07Å
815K41.7Very low55.4Low115 Ų115126.3 Ų126.350%0.562%0.622SS.*  trans-45.1129.1-166.7-68.8168.4179.5171.20113.5M1 S813 N817M1-K815 VanDerWaalsContact O-CD 3.32Å; M1-K815 WeakPolarHBondContact O-CD 3.48Å; M1-K815 WeakPolarHBondContact O-CE 3.3Å; M1-K815 PolarHBondContact O-NZ 3Å; M1-K815 VanDerWaalsContact O-NZ 3.15Å; S813-K815 PolarHBondContact O-N 2.69Å; K815-N817 PolarHBondContact O-N 3.4Å; K815-N817 VanDerWaalsContact O-N 3.11Å
816Y39.6Very low52.3Low192 Ų192135.1 Ų135.175%0.75366%0.66SS**  trans-66.1104.3163-107.6-90.9000108.4I814 L818I814-Y816 PolarHBondContact O-N 3.07Å; Y816-L818 PolarHBondContact O-N 2.77Å
817N32Very low49.2Very low101 Ų101134.2 Ų134.254%0.5467%0.67SS.*  trans-79.4108160.9-88-6.7000107.1K815 E819 N820K815-N817 PolarHBondContact O-N 3.4Å; K815-N817 VanDerWaalsContact O-N 3.11Å; N817-E819 PolarHBondContact O-N 3.03Å; N817-N820 PolarHBondContact O-N 2.68Å
818L39.8Very low46.4Very low156 Ų156136.7 Ų136.782%0.81769%0.688SS**G310 helixtrans-63.8-0.7174.2-83.8158.3000113.6Y816Y816-L818 PolarHBondContact O-N 2.77Å
819E37.6Very low43.9Very low167 Ų167146.7 Ų146.778%0.7874%0.742SS**G310 helixtrans-82.9-10.2179.1-69.7-180160.900114.5N817N817-E819 PolarHBondContact O-N 3.03Å
820N31Very low41.7Very low139 Ų139148 Ų14874%0.74374%0.743SS**G310 helixtrans-103.79.9-174.2-84.5-11.5000116.7N817 Q822N817-N820 PolarHBondContact O-N 2.68Å; N820-Q822 VanDerWaalsContact C-N 3.26Å; N820-Q822 PolarHBondContact O-N 2.7Å
821N31.6Very low39.6Very low148 Ų148155.1 Ų155.179%0.79178%0.778SS**  trans-89.362.9167.4-85.8-18.1000111L823N821-L823 PolarHBondContact O-N 3.1Å
822Q29.8Very low37.5Very low175 Ų175153.7 Ų153.782%0.81878%0.777SS**  trans-72.7104.9152.6-79.1-169-6.400107.8N820 Q824N820-Q822 VanDerWaalsContact C-N 3.26Å; N820-Q822 PolarHBondContact O-N 2.7Å; Q822-Q824 PolarHBondContact O-N 3.09Å
823L31.2Very low35.9Very low166 Ų166153.6 Ų153.687%0.86978%0.781SS**  trans19.370.8141.8-72.9155.4000116.1N821 K825N821-L823 PolarHBondContact O-N 3.1Å; L823-K825 VanDerWaalsContact C-N 3.29Å; L823-K825 PolarHBondContact O-N 3.23Å
824Q27.9Very low34.7Very low197 Ų197159.9 Ų159.992%0.92181%0.806SS**  trans-90.776.4152.2-84.6-168.7-9.600108.1Q822Q822-Q824 PolarHBondContact O-N 3.09Å
825K31.4Very low34.2Very low163 Ų163159.3 Ų159.371%0.70980%0.802SS**  trans-143.9111.4167.2-106.7-174.8177.8-178.70108.8L823L823-K825 VanDerWaalsContact C-N 3.29Å; L823-K825 PolarHBondContact O-N 3.23Å
826F32.5Very low33.7Very low190 Ų190162.4 Ų162.483%0.83382%0.823SS**  trans76.681.9156.5-57.2-75.6000119.2
827S30.6Very low33.3Very low122 Ų122160.2 Ų160.285%0.85383%0.829SS**  trans-155.777143.664.50000111.2
828S36.5Very low33.4Very low113 Ų113165.1 Ų165.179%0.7985%0.853SS**  trans-164.982156.757.70000109.1
829N40.6Very low32.8Very low245 Ų245165.9 Ų165.9100%1.3186%0.856SS**  trans-156.50149.9-101.5-5.9000106.8

Retrieved 829 of 829 residues in 443.7 ms (Link to these results)

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