A0A5K4F0C1_SCHMA Loading...

Negative elongation factor A

AlphaFold DB , UniProt , Accession A0A5K4F0C1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,049 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
1M65.4Low86Confident100 Ų10075.5 Ų75.549%0.49337%0.371SS..  0-63.80-174.546.997.800113.6D3 L4 M5 H40 M41M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-M5 HydrophobicContact CG-CE 4.18Å; M1-M5 PolarHBondContact O-N 3.16Å; M1-M5 HydrophobicContact SD-CG 4.05Å; M1-M5 HydrophobicContact SD-SD 4.36Å; M1-H40 HydrophobicContact CE-CB 3.54Å; M1-M41 HydrophobicContact CE-CG 4.03Å; M1-M41 HydrophobicContact SD-CG 4.27Å
2G76.3Confident86.4Confident38 Ų3869.8 Ų69.839%0.39234%0.342SS..Hα-helixtrans-48.7-43.6-172.700000115.5M5 K6G2-M5 PolarHBondContact O-N 3.15Å; G2-K6 PolarHBondContact O-N 3.04Å; G2-K6 VanDerWaalsContact O-N 3.15Å
3D88.3Confident86.6Confident106 Ų10667 Ų6757%0.56733%0.327SS*.Hα-helixtrans-75.5-21.7-179.6-51.5-69.7000114.2M1 K6 F7M1-D3 VanDerWaalsContact C-N 3.29Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.09Å; D3-K6 PolarHBondContact O-N 3.32Å; D3-K6 WeakPolarHBondContact OD1-CE 3.41Å; D3-K6 IonicContact OD1-NZ 2.7Å; D3-K6 PolarHBondContact OD1-NZ 2.81Å; D3-F7 VanDerWaalsContact O-CB 3.29Å; D3-F7 WeakPolarHBondContact O-CB 3.41Å; D3-F7 PolarHBondContact O-N 3.05Å
4L89.1Confident86.6Confident32 Ų3267.9 Ų67.917%0.16833%0.334CS..Hα-helixtrans-67.2-41.4170-172.365.5000110.5M1 F7 V8 I34M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.39Å; M1-L4 PolarHBondContact O-N 3.13Å; L4-F7 HydrophobicContact CD1-CD1 4.35Å; L4-F7 PolarHBondContact O-N 3Å; L4-V8 WeakPolarHBondContact O-CB 3.48Å; L4-V8 WeakPolarHBondContact O-CG2 3.14Å; L4-V8 PolarHBondContact O-N 3.44Å; L4-I34 HydrophobicContact CD1-CG1 3.96Å; L4-I34 HydrophobicContact CD2-CG1 4.38Å; L4-I34 HydrophobicContact CG-CG1 4.36Å
5M89.2Confident86.3Confident37 Ų3772.5 Ų72.518%0.18236%0.361CS..Hα-helixtrans-68.4-35.3175.4-61.7-172.1-66.300112.1M1 G2 R9 M41 D42M1-M5 HydrophobicContact CG-CE 4.18Å; M1-M5 PolarHBondContact O-N 3.16Å; M1-M5 HydrophobicContact SD-CG 4.05Å; M1-M5 HydrophobicContact SD-SD 4.36Å; G2-M5 PolarHBondContact O-N 3.15Å; M5-R9 WeakPolarHBondContact O-CB 3.28Å; M5-R9 WeakPolarHBondContact O-CD 3.45Å; M5-R9 VanDerWaalsContact O-CG 3.27Å; M5-R9 WeakPolarHBondContact O-CG 3.46Å; M5-R9 PolarHBondContact O-N 3.1Å; M5-R9 VanDerWaalsContact O-N 3.09Å; M5-M41 HydrophobicContact CG-CE 3.94Å; M5-D42 HydrophobicContact SD-CB 3.99Å; M5-D42 PolarHBondContact SD-N 3.26Å; M5-D42 VanDerWaalsContact SD-N 3.41Å
6K89.8Confident85.9Confident137 Ų13775.2 Ų75.260%0.59638%0.377SS*.Hα-helixtrans-62.8-48.8169.8-64.7174.9-165.1161.80111.2G2 D3 V8 R9 Q10G2-K6 PolarHBondContact O-N 3.04Å; G2-K6 VanDerWaalsContact O-N 3.15Å; D3-K6 PolarHBondContact O-N 3.32Å; D3-K6 WeakPolarHBondContact OD1-CE 3.41Å; D3-K6 IonicContact OD1-NZ 2.7Å; D3-K6 PolarHBondContact OD1-NZ 2.81Å; K6-V8 PolarHBondContact O-N 2.88Å; K6-R9 PolarHBondContact O-N 2.83Å; K6-Q10 WeakPolarHBondContact O-CB 3.34Å; K6-Q10 PolarHBondContact O-N 3.17Å
7F90.8Very high86Confident57 Ų5782 Ų8225%0.2540%0.397CS..Hα-helixtrans-56.5-50.2177.5169.3-98.9000111.3D3 L4 R9 Q10 Q11 F12 K30D3-F7 VanDerWaalsContact O-CB 3.29Å; D3-F7 WeakPolarHBondContact O-CB 3.41Å; D3-F7 PolarHBondContact O-N 3.05Å; L4-F7 HydrophobicContact CD1-CD1 4.35Å; L4-F7 PolarHBondContact O-N 3Å; F7-R9 PolarHBondContact O-N 3.3Å; F7-Q10 PolarHBondContact O-N 3.4Å; F7-Q11 HydrophobicContact CD2-CG 3.76Å; F7-Q11 HydrophobicContact CE1-CG 4.4Å; F7-Q11 HydrophobicContact CE2-CG 3.46Å; F7-Q11 VanDerWaalsContact CE2-CG 3.46Å; F7-Q11 HydrophobicContact CG-CG 4.35Å; F7-Q11 HydrophobicContact CZ-CG 3.8Å; F7-Q11 WeakPolarHBondContact O-CB 3.39Å; F7-Q11 WeakPolarHBondContact O-CG 3.26Å; F7-Q11 PolarHBondContact O-N 3Å; F7-F12 HydrophobicContact CE1-CE2 4.47Å; F7-K30 HydrophobicContact CE1-CB 4.34Å; F7-K30 HydrophobicContact CE1-CD 4.11Å; F7-K30 HydrophobicContact CE2-CD 3.92Å; F7-K30 HydrophobicContact CZ-CB 4.43Å; F7-K30 HydrophobicContact CZ-CD 3.55Å
8V90.9Very high86.2Confident0 Ų079.6 Ų79.60%039%0.388CS..Hα-helixtrans-58.7-46.1178.41640000111.5L4 K6 Q10 F12 I34 M41 L49L4-V8 WeakPolarHBondContact O-CB 3.48Å; L4-V8 WeakPolarHBondContact O-CG2 3.14Å; L4-V8 PolarHBondContact O-N 3.44Å; K6-V8 PolarHBondContact O-N 2.88Å; V8-Q10 VanDerWaalsContact C-N 3.35Å; V8-Q10 PolarHBondContact O-N 2.81Å; V8-F12 HydrophobicContact CB-CD2 4.43Å; V8-F12 HydrophobicContact CG1-CD2 4.27Å; V8-F12 HydrophobicContact CG2-CD2 4.48Å; V8-F12 HydrophobicContact CG2-CE2 4.43Å; V8-F12 WeakPolarHBondContact O-CB 3.43Å; V8-F12 WeakPolarHBondContact O-CD2 3.48Å; V8-F12 PolarHBondContact O-N 3.35Å; V8-I34 HydrophobicContact CG2-CD1 3.74Å; V8-I34 HydrophobicContact CG2-CG1 4.15Å; V8-M41 HydrophobicContact CB-CE 4.15Å; V8-M41 HydrophobicContact CG1-CE 4.3Å; V8-M41 HydrophobicContact CG2-CE 3.88Å; V8-L49 HydrophobicContact CG1-CD1 4.1Å; V8-L49 HydrophobicContact CG1-CD2 3.76Å; V8-L49 HydrophobicContact CG1-CG 3.67Å; V8-L49 HydrophobicContact CG2-CD1 4.4Å; V8-L49 HydrophobicContact CG2-CD2 4.08Å
9R88.2Confident86.4Confident94 Ų9478.3 Ų78.336%0.35538%0.38SS..Hα-helixtrans-65.6-36177.9-70.9168.8-180-171-3.7113.1M5 K6 F7 F13 D42 S45M5-R9 WeakPolarHBondContact O-CB 3.28Å; M5-R9 WeakPolarHBondContact O-CD 3.45Å; M5-R9 VanDerWaalsContact O-CG 3.27Å; M5-R9 WeakPolarHBondContact O-CG 3.46Å; M5-R9 PolarHBondContact O-N 3.1Å; M5-R9 VanDerWaalsContact O-N 3.09Å; K6-R9 PolarHBondContact O-N 2.83Å; F7-R9 PolarHBondContact O-N 3.3Å; R9-F13 VanDerWaalsContact O-CB 3.31Å; R9-F13 WeakPolarHBondContact O-CB 3.27Å; R9-F13 PolarHBondContact O-N 3.11Å; R9-F13 VanDerWaalsContact O-O 3.13Å; R9-D42 IonicContact CZ-OD1 3.55Å; R9-D42 IonicContact CZ-OD2 2.76Å; R9-D42 IonicContact NH1-OD2 2.68Å; R9-D42 IonicContact NH2-OD1 3.17Å; R9-D42 PolarHBondContact NH2-OD1 2.89Å; R9-D42 IonicContact NH2-OD2 2.71Å; R9-D42 PolarHBondContact NH2-OD2 3.15Å; R9-S45 PolarHBondContact NE-OG 2.84Å; R9-S45 VanDerWaalsContact NE-OG 3.1Å
10Q89.5Confident86.3Confident131 Ų13180.8 Ų80.861%0.61241%0.406SS*.Hα-helixtrans-73.2-39179.8-173.660.24000112.7K6 F7 V8 K19K6-Q10 WeakPolarHBondContact O-CB 3.34Å; K6-Q10 PolarHBondContact O-N 3.17Å; F7-Q10 PolarHBondContact O-N 3.4Å; V8-Q10 VanDerWaalsContact C-N 3.35Å; V8-Q10 PolarHBondContact O-N 2.81Å; Q10-K19 PolarHBondContact O-NZ 2.84Å
11Q88.7Confident86.3Confident99 Ų9978.5 Ų78.546%0.46340%0.395SS..Hα-helixtrans-85.2-43.2-176.4-62.7-59.3-19.800113.2F7 K19F7-Q11 HydrophobicContact CD2-CG 3.76Å; F7-Q11 HydrophobicContact CE1-CG 4.4Å; F7-Q11 HydrophobicContact CE2-CG 3.46Å; F7-Q11 VanDerWaalsContact CE2-CG 3.46Å; F7-Q11 HydrophobicContact CG-CG 4.35Å; F7-Q11 HydrophobicContact CZ-CG 3.8Å; F7-Q11 WeakPolarHBondContact O-CB 3.39Å; F7-Q11 WeakPolarHBondContact O-CG 3.26Å; F7-Q11 PolarHBondContact O-N 3Å; Q11-K19 WeakPolarHBondContact O-CD 3.41Å
12F90.5Very high87.3Confident7 Ų778.6 Ų78.63%0.03140%0.397CS..Hα-helixtrans-95.7-8.8-171.6-62-98.2000114.1F7 V8 T18 K19 I21 L26 I34 L49 A52 F53F7-F12 HydrophobicContact CE1-CE2 4.47Å; V8-F12 HydrophobicContact CB-CD2 4.43Å; V8-F12 HydrophobicContact CG1-CD2 4.27Å; V8-F12 HydrophobicContact CG2-CD2 4.48Å; V8-F12 HydrophobicContact CG2-CE2 4.43Å; V8-F12 WeakPolarHBondContact O-CB 3.43Å; V8-F12 WeakPolarHBondContact O-CD2 3.48Å; V8-F12 PolarHBondContact O-N 3.35Å; F12-T18 WeakPolarHBondContact O-CA 3.35Å; F12-K19 PolarHBondContact O-N 3.12Å; F12-I21 HydrophobicContact CB-CD1 4.27Å; F12-I21 HydrophobicContact CD1-CD1 3.34Å; F12-I21 HydrophobicContact CE1-CD1 3.75Å; F12-I21 HydrophobicContact CG-CD1 3.83Å; F12-L26 HydrophobicContact CE1-CD2 4.01Å; F12-L26 HydrophobicContact CZ-CD2 3.79Å; F12-I34 HydrophobicContact CE2-CD1 4.5Å; F12-L49 HydrophobicContact CD1-CD2 4.3Å; F12-L49 HydrophobicContact CD2-CD2 4.16Å; F12-L49 HydrophobicContact CE1-CD2 4.26Å; F12-L49 HydrophobicContact CE2-CD2 4.11Å; F12-L49 HydrophobicContact CG-CD2 4.26Å; F12-L49 HydrophobicContact CZ-CD2 4.16Å; F12-A52 HydrophobicContact CB-CB 4.2Å; F12-A52 HydrophobicContact CD1-CB 3.82Å; F12-A52 HydrophobicContact CG-CB 4.5Å; F12-F53 HydrophobicContact CE1-CD1 4.36Å; F12-F53 AromaticContact CE1-CE1 3.63Å; F12-F53 HydrophobicContact CE1-CE1 3.63Å; F12-F53 HydrophobicContact CE1-CZ 4.09Å; F12-F53 HydrophobicContact CZ-CE1 4.19Å; F12-F53 HydrophobicContact CZ-CZ 4.34Å
13F89.6Confident87.7Confident33 Ų3377.3 Ų77.315%0.14538%0.382CS..EExtended strand (participates in β ladder)trans-134.8143.3-172-127.7-129.2000113.1R9 N16 W17 T18 K19 C48R9-F13 VanDerWaalsContact O-CB 3.31Å; R9-F13 WeakPolarHBondContact O-CB 3.27Å; R9-F13 PolarHBondContact O-N 3.11Å; R9-F13 VanDerWaalsContact O-O 3.13Å; F13-N16 VanDerWaalsContact CE1-CA 3.47Å; F13-N16 HydrophobicContact CE1-CB 4.33Å; F13-N16 WeakPolarHBondContact CE1-O 3.47Å; F13-N16 WeakPolarHBondContact CZ-O 3.45Å; F13-W17 CarbonylContact C-O 3.55Å; F13-W17 VanDerWaalsContact CA-O 3.32Å; F13-W17 WeakPolarHBondContact CA-O 3.2Å; F13-W17 WeakPolarHBondContact CD2-O 3.45Å; F13-W17 VanDerWaalsContact CE2-C 3.48Å; F13-W17 WeakPolarHBondContact CG-O 3.37Å; F13-T18 HydrophobicContact CD2-CG2 4.19Å; F13-T18 HydrophobicContact CE2-CG2 3.9Å; F13-K19 WeakPolarHBondContact O-CE 3.33Å; F13-K19 PolarHBondContact O-NZ 3.31Å; F13-C48 VanDerWaalsContact CD1-SG 3.59Å; F13-C48 HydrophobicContact CD2-CB 3.82Å; F13-C48 WeakPolarHBondContact CD2-SG 3.46Å; F13-C48 HydrophobicContact CE2-CB 4.06Å; F13-C48 WeakPolarHBondContact CE2-SG 3.42Å; F13-C48 HydrophobicContact CG-CB 4.29Å; F13-C48 VanDerWaalsContact CG-SG 3.51Å; F13-C48 VanDerWaalsContact CZ-SG 3.58Å
14D86.5Confident87.6Confident80 Ų8075 Ų7543%0.42837%0.37SS..EExtended strand (participates in β ladder)trans-143.7143.4166.9-134.1-54.4000110.5N16 W17 K19D14-N16 PolarHBondContact O-N 2.88Å; D14-W17 PolarHBondContact N-O 2.94Å; D14-W17 WeakPolarHBondContact O-CA 3.46Å; D14-W17 PolarHBondContact O-N 2.84Å; D14-W17 VanDerWaalsContact O-O 3.05Å; D14-K19 HydrophobicContact CB-CD 4.39Å; D14-K19 HydrophobicContact CB-CG 4.08Å; D14-K19 VanDerWaalsContact CG-CE 3.48Å; D14-K19 WeakPolarHBondContact OD2-CE 3.25Å; D14-K19 IonicContact OD2-NZ 2.74Å; D14-K19 PolarHBondContact OD2-NZ 3.5Å
15N81.2Confident87.5Confident137 Ų13777.4 Ų77.473%0.73339%0.389SS*.THydrogen-bonded Turntrans47.829.5174.1-59.3-56.1000116.1
16N80.7Confident87.4Confident115 Ų11577 Ų7762%0.61539%0.388SS*.THydrogen-bonded Turntrans71.716.2-172.4-54-71.2000117.3F13 D14 K44F13-N16 VanDerWaalsContact CE1-CA 3.47Å; F13-N16 HydrophobicContact CE1-CB 4.33Å; F13-N16 WeakPolarHBondContact CE1-O 3.47Å; F13-N16 WeakPolarHBondContact CZ-O 3.45Å; D14-N16 PolarHBondContact O-N 2.88Å; N16-K44 PolarHBondContact OD1-NZ 3.5Å
17W87.4Confident87.3Confident191 Ų19174.2 Ų74.272%0.72338%0.379SS*.EExtended strand (participates in β ladder)trans-121.3162.3174.3-65.3102.2000112.1F13 D14F13-W17 CarbonylContact C-O 3.55Å; F13-W17 VanDerWaalsContact CA-O 3.32Å; F13-W17 WeakPolarHBondContact CA-O 3.2Å; F13-W17 WeakPolarHBondContact CD2-O 3.45Å; F13-W17 VanDerWaalsContact CE2-C 3.48Å; F13-W17 WeakPolarHBondContact CG-O 3.37Å; D14-W17 PolarHBondContact N-O 2.94Å; D14-W17 WeakPolarHBondContact O-CA 3.46Å; D14-W17 PolarHBondContact O-N 2.84Å; D14-W17 VanDerWaalsContact O-O 3.05Å
18T90.1Very high87.3Confident39 Ų3975.3 Ų75.324%0.23939%0.385CS..EExtended strand (participates in β ladder)trans-73.7136176.152.40000112.2F12 F13 L51 A52F12-T18 WeakPolarHBondContact O-CA 3.35Å; F13-T18 HydrophobicContact CD2-CG2 4.19Å; F13-T18 HydrophobicContact CE2-CG2 3.9Å; T18-L51 HydrophobicContact CG2-CB 3.47Å; T18-L51 VanDerWaalsContact CG2-CB 3.47Å; T18-A52 HydrophobicContact CG2-CB 4.04Å
19K88.8Confident87.3Confident55 Ų5581 Ų8124%0.23941%0.411CS..PPolyproline II helixtrans-71.7147.6168.7-75.3172.8171.6172.60111Q10 Q11 F12 F13 D14 I21Q10-K19 PolarHBondContact O-NZ 2.84Å; Q11-K19 WeakPolarHBondContact O-CD 3.41Å; F12-K19 PolarHBondContact O-N 3.12Å; F13-K19 WeakPolarHBondContact O-CE 3.33Å; F13-K19 PolarHBondContact O-NZ 3.31Å; D14-K19 HydrophobicContact CB-CD 4.39Å; D14-K19 HydrophobicContact CB-CG 4.08Å; D14-K19 VanDerWaalsContact CG-CE 3.48Å; D14-K19 WeakPolarHBondContact OD2-CE 3.25Å; D14-K19 IonicContact OD2-NZ 2.74Å; D14-K19 PolarHBondContact OD2-NZ 3.5Å; K19-I21 HydrophobicContact CB-CG1 4.37Å
20S84.9Confident87.5Confident128 Ų12880.9 Ų80.990%0.89541%0.414SS*.PPolyproline II helixtrans-75.3124.3163.5-173.40000108.4
21I85.7Confident87.6Confident33 Ų3374.8 Ų74.817%0.16939%0.385CS..  trans-126.3137.2-178.9-66166000108.2F12 K19 L26 M56F12-I21 HydrophobicContact CB-CD1 4.27Å; F12-I21 HydrophobicContact CD1-CD1 3.34Å; F12-I21 HydrophobicContact CE1-CD1 3.75Å; F12-I21 HydrophobicContact CG-CD1 3.83Å; K19-I21 HydrophobicContact CB-CG1 4.37Å; I21-L26 HydrophobicContact CG2-CD1 3.7Å; I21-L26 HydrophobicContact CG2-CG 4.42Å; I21-M56 HydrophobicContact CB-CG 4.44Å; I21-M56 HydrophobicContact CB-SD 4.3Å; I21-M56 HydrophobicContact CG2-SD 4.48Å
22D86.8Confident87.9Confident101 Ų10175.4 Ų75.454%0.5439%0.388SS..  trans-75118.5170.2-171.1-21.9000109.1D24 S25D22-D24 PolarHBondContact O-N 3.35Å; D22-D24 PolarHBondContact OD1-N 2.98Å; D22-D24 VanDerWaalsContact OD1-N 3.15Å; D22-S25 WeakPolarHBondContact O-CB 3.36Å; D22-S25 PolarHBondContact O-N 3.49Å; D22-S25 PolarHBondContact O-OG 3.31Å
23P85.2Confident88Confident11 Ų1178 Ų787%0.07141%0.406CS..G310 helixtrans-58.4-28.7-177.727.5-38.9000113.9S25 L26 M56 K57P23-S25 PolarHBondContact O-N 3.37Å; P23-L26 WeakPolarHBondContact O-CD1 3.29Å; P23-M56 HydrophobicContact CB-CE 4.02Å; P23-K57 VanDerWaalsContact CB-O 3.31Å; P23-K57 WeakPolarHBondContact CB-O 3.22Å; P23-K57 HydrophobicContact CG-CB 4.23Å; P23-K57 WeakPolarHBondContact CG-O 3.5Å
24D85.5Confident88.3Confident58 Ų5876.5 Ų76.531%0.3140%0.4SS..G310 helixtrans-83.43.8-179.9-61.5-18.3000112.6D22 S59 K60D22-D24 PolarHBondContact O-N 3.35Å; D22-D24 PolarHBondContact OD1-N 2.98Å; D22-D24 VanDerWaalsContact OD1-N 3.15Å; D24-S59 WeakPolarHBondContact OD1-CA 3.46Å; D24-S59 WeakPolarHBondContact OD1-CB 3.2Å; D24-S59 PolarHBondContact OD1-OG 2.69Å; D24-K60 PolarHBondContact OD1-N 3.25Å; D24-K60 WeakPolarHBondContact OD2-CG 3.48Å; D24-K60 IonicContact OD2-NZ 2.6Å; D24-K60 PolarHBondContact OD2-NZ 3.07Å
25S86.5Confident88.7Confident82 Ų8273.5 Ų73.557%0.57338%0.384SS*.G310 helixtrans-100.2-4.7177.474.20000114.9D22 P23D22-S25 WeakPolarHBondContact O-CB 3.36Å; D22-S25 PolarHBondContact O-N 3.49Å; D22-S25 PolarHBondContact O-OG 3.31Å; P23-S25 PolarHBondContact O-N 3.37Å
26L87.1Confident89.4Confident30 Ų3071 Ų7116%0.15738%0.382CS..SBendtrans-79.2135.1178.8-7191.4000111.4F12 I21 P23 E28 F53 M56 I64F12-L26 HydrophobicContact CE1-CD2 4.01Å; F12-L26 HydrophobicContact CZ-CD2 3.79Å; I21-L26 HydrophobicContact CG2-CD1 3.7Å; I21-L26 HydrophobicContact CG2-CG 4.42Å; P23-L26 WeakPolarHBondContact O-CD1 3.29Å; L26-E28 PolarHBondContact O-N 3.29Å; L26-F53 HydrophobicContact CD2-CE1 4.22Å; L26-M56 HydrophobicContact CD1-CE 3.57Å; L26-M56 HydrophobicContact CD2-CE 4.35Å; L26-I64 HydrophobicContact CB-CD1 4.46Å
27N89.1Confident90Very high77 Ų7767 Ų6741%0.41236%0.363SS..  trans-74121.3166.5178.47.4000109.9E29 K30 L31N27-E29 PolarHBondContact ND2-OE2 2.96Å; N27-E29 PolarHBondContact O-N 2.86Å; N27-E29 WeakPolarHBondContact OD1-CB 3.34Å; N27-E29 PolarHBondContact OD1-N 2.96Å; N27-E29 VanDerWaalsContact OD1-N 3.11Å; N27-K30 HydrophobicContact CB-CB 4.48Å; N27-K30 HydrophobicContact CB-CD 4.49Å; N27-K30 HydrophobicContact CB-CG 4.33Å; N27-K30 PolarHBondContact O-N 3.35Å; N27-K30 VanDerWaalsContact O-N 3.14Å; N27-L31 PolarHBondContact O-N 3.34Å
28E91Very high90.4Very high80 Ų8058 Ų5837%0.37433%0.329SS..Hα-helixtrans-53-46.7177.3-171173166.400112.7L26 K30 L31 E32 Q63L26-E28 PolarHBondContact O-N 3.29Å; E28-K30 PolarHBondContact O-N 2.99Å; E28-L31 CarbonylContact O-C 3.17Å; E28-L31 WeakPolarHBondContact O-CA 3.43Å; E28-L31 WeakPolarHBondContact O-CB 3.47Å; E28-L31 PolarHBondContact O-N 2.95Å; E28-E32 PolarHBondContact O-N 3.48Å; E28-Q63 HydrophobicContact CG-CB 4.34Å; E28-Q63 WeakPolarHBondContact OE1-CB 3.42Å; E28-Q63 VanDerWaalsContact OE1-CG 3.3Å; E28-Q63 WeakPolarHBondContact OE1-CG 3.4Å
29E91Very high90.5Very high119 Ų11959 Ų5956%0.55634%0.338SS*.Hα-helixtrans-53.6-39.8176.8175-157.6-155.600112.3N27 L31 C33N27-E29 PolarHBondContact ND2-OE2 2.96Å; N27-E29 PolarHBondContact O-N 2.86Å; N27-E29 WeakPolarHBondContact OD1-CB 3.34Å; N27-E29 PolarHBondContact OD1-N 2.96Å; N27-E29 VanDerWaalsContact OD1-N 3.11Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-C33 WeakPolarHBondContact O-CB 3.41Å; E29-C33 PolarHBondContact O-N 2.83Å; E29-C33 PolarHBondContact O-SG 3.3Å
30K90.8Very high90.7Very high93 Ų9363.3 Ų63.340%0.40436%0.359SS..Hα-helixtrans-76.9-25.3179.3-66.8-171.4-179.21790112.3F7 N27 E28 I34F7-K30 HydrophobicContact CE1-CB 4.34Å; F7-K30 HydrophobicContact CE1-CD 4.11Å; F7-K30 HydrophobicContact CE2-CD 3.92Å; F7-K30 HydrophobicContact CZ-CB 4.43Å; F7-K30 HydrophobicContact CZ-CD 3.55Å; N27-K30 HydrophobicContact CB-CB 4.48Å; N27-K30 HydrophobicContact CB-CD 4.49Å; N27-K30 HydrophobicContact CB-CG 4.33Å; N27-K30 PolarHBondContact O-N 3.35Å; N27-K30 VanDerWaalsContact O-N 3.14Å; E28-K30 PolarHBondContact O-N 2.99Å; K30-I34 WeakPolarHBondContact O-CD1 3.31Å; K30-I34 VanDerWaalsContact O-CG1 3.25Å; K30-I34 WeakPolarHBondContact O-CG1 3.2Å; K30-I34 PolarHBondContact O-N 3.4Å
31L92.9Very high91.1Very high3 Ų357.6 Ų57.62%0.01632%0.318CS..Hα-helixtrans-81.1-38.7176.9-171.662.6000111N27 E28 E29 C33 I34 D35 F53 I64 H67 I68 I71N27-L31 PolarHBondContact O-N 3.34Å; E28-L31 CarbonylContact O-C 3.17Å; E28-L31 WeakPolarHBondContact O-CA 3.43Å; E28-L31 WeakPolarHBondContact O-CB 3.47Å; E28-L31 PolarHBondContact O-N 2.95Å; E29-L31 VanDerWaalsContact C-N 3.34Å; L31-C33 VanDerWaalsContact C-N 3.35Å; L31-I34 WeakPolarHBondContact O-CB 3.42Å; L31-I34 PolarHBondContact O-N 3.5Å; L31-I34 VanDerWaalsContact O-N 3.07Å; L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 2.96Å; L31-F53 HydrophobicContact CD1-CE1 4.04Å; L31-F53 HydrophobicContact CD1-CE2 4.44Å; L31-F53 HydrophobicContact CD1-CZ 3.55Å; L31-I64 HydrophobicContact CD2-CB 4.22Å; L31-I64 HydrophobicContact CD2-CG1 4.39Å; L31-I64 HydrophobicContact CD2-CG2 3.87Å; L31-H67 HydrophobicContact CD2-CB 3.81Å; L31-H67 HydrophobicContact CG-CB 3.69Å; L31-I68 HydrophobicContact CD1-CG1 4.48Å; L31-I68 HydrophobicContact CD2-CG1 4.26Å; L31-I71 HydrophobicContact CD1-CD1 3.98Å
32E94.4Very high91.5Very high112 Ų11258.7 Ų58.752%0.52332%0.324SS..Hα-helixtrans-58.4-45.3166.9-177.7179-146.600111E28 I34 D35 A36E28-E32 PolarHBondContact O-N 3.48Å; E32-I34 PolarHBondContact O-N 3.11Å; E32-D35 PolarHBondContact O-N 3Å; E32-A36 WeakPolarHBondContact O-CB 3.44Å; E32-A36 PolarHBondContact O-N 2.85Å
33C93.4Very high91.9Very high60 Ų6056.3 Ų56.341%0.40531%0.313SS..Hα-helixtrans-57.1-33.8171.7-75.60000113.5E29 L31 S37E29-C33 WeakPolarHBondContact O-CB 3.41Å; E29-C33 PolarHBondContact O-N 2.83Å; E29-C33 PolarHBondContact O-SG 3.3Å; L31-C33 VanDerWaalsContact C-N 3.35Å; C33-S37 WeakPolarHBondContact O-CB 3.36Å; C33-S37 PolarHBondContact O-N 3.3Å; C33-S37 PolarHBondContact O-OG 2.74Å
34I95.1Very high92.2Very high2 Ų260.3 Ų60.31%0.0133%0.329CS..Hα-helixtrans-76.3-46.2176.7-70.2164.1000110.3L4 V8 F12 K30 L31 E32 S37 F38 M41 L49 I71L4-I34 HydrophobicContact CD1-CG1 3.96Å; L4-I34 HydrophobicContact CD2-CG1 4.38Å; L4-I34 HydrophobicContact CG-CG1 4.36Å; V8-I34 HydrophobicContact CG2-CD1 3.74Å; V8-I34 HydrophobicContact CG2-CG1 4.15Å; F12-I34 HydrophobicContact CE2-CD1 4.5Å; K30-I34 WeakPolarHBondContact O-CD1 3.31Å; K30-I34 VanDerWaalsContact O-CG1 3.25Å; K30-I34 WeakPolarHBondContact O-CG1 3.2Å; K30-I34 PolarHBondContact O-N 3.4Å; L31-I34 WeakPolarHBondContact O-CB 3.42Å; L31-I34 PolarHBondContact O-N 3.5Å; L31-I34 VanDerWaalsContact O-N 3.07Å; E32-I34 PolarHBondContact O-N 3.11Å; I34-S37 CarbonylContact O-C 3.53Å; I34-S37 PolarHBondContact O-N 3.17Å; I34-S37 VanDerWaalsContact O-N 3.14Å; I34-F38 WeakPolarHBondContact O-CA 3.31Å; I34-F38 WeakPolarHBondContact O-CB 3.45Å; I34-F38 PolarHBondContact O-N 3.44Å; I34-M41 HydrophobicContact CG2-SD 4.32Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 3.61Å; I34-L49 HydrophobicContact CG2-CD2 4.37Å; I34-I71 HydrophobicContact CB-CD1 4.39Å; I34-I71 HydrophobicContact CG2-CD1 3.73Å
35D95.3Very high92.6Very high18 Ų1857.6 Ų57.610%0.09632%0.315CS..Hα-helixtrans-55.8-55.1177.6-169.610.4000110.5L31 E32 S37 F38 H67 N70 I71 Q74L31-D35 WeakPolarHBondContact O-CB 3.48Å; L31-D35 PolarHBondContact O-N 2.96Å; E32-D35 PolarHBondContact O-N 3Å; D35-S37 PolarHBondContact O-N 3.4Å; D35-S37 VanDerWaalsContact O-N 3.14Å; D35-F38 PolarHBondContact O-N 3.17Å; D35-H67 HydrophobicContact CB-CB 4.44Å; D35-H67 IonicContact OD2-CE1 3.79Å; D35-H67 IonicContact OD2-CG 3.73Å; D35-H67 IonicContact OD2-ND1 2.8Å; D35-H67 PolarHBondContact OD2-ND1 3.23Å; D35-N70 WeakPolarHBondContact OD1-CB 3.44Å; D35-N70 WeakPolarHBondContact OD2-CB 3.49Å; D35-N70 PolarHBondContact OD2-ND2 3.47Å; D35-I71 HydrophobicContact CB-CD1 4.23Å; D35-I71 HydrophobicContact CB-CG1 4.1Å; D35-Q74 PolarHBondContact O-NE2 2.9Å; D35-Q74 PolarHBondContact OD1-NE2 3.37Å
36A94.9Very high93Very high83 Ų8354 Ų5469%0.68629%0.288SS*.THydrogen-bonded Turntrans-64.7-18.5177.700000114.7E32E32-A36 WeakPolarHBondContact O-CB 3.44Å; E32-A36 PolarHBondContact O-N 2.85Å
37S94.2Very high93.4Very high33 Ų3354 Ų5423%0.23129%0.288CS..THydrogen-bonded Turntrans-107.1-5.6-177.9-58.40000114.4C33 I34 D35 S39 H40 M41C33-S37 WeakPolarHBondContact O-CB 3.36Å; C33-S37 PolarHBondContact O-N 3.3Å; C33-S37 PolarHBondContact O-OG 2.74Å; I34-S37 CarbonylContact O-C 3.53Å; I34-S37 PolarHBondContact O-N 3.17Å; I34-S37 VanDerWaalsContact O-N 3.14Å; D35-S37 PolarHBondContact O-N 3.4Å; D35-S37 VanDerWaalsContact O-N 3.14Å; S37-S39 PolarHBondContact O-N 2.76Å; S37-H40 PolarHBondContact O-N 3.38Å; S37-M41 PolarHBondContact O-N 3.03Å
38F95.4Very high93.5Very high0 Ų050.4 Ų50.40%027%0.269CS..G310 helixtrans-57.7-49.1-161.2-178.5-94.6000112.3I34 D35 H40 M41 K46 L49 I71 Q74 A75I34-F38 WeakPolarHBondContact O-CA 3.31Å; I34-F38 WeakPolarHBondContact O-CB 3.45Å; I34-F38 PolarHBondContact O-N 3.44Å; D35-F38 PolarHBondContact O-N 3.17Å; F38-H40 PolarHBondContact O-N 2.69Å; F38-H40 VanDerWaalsContact O-N 3.07Å; F38-M41 WeakPolarHBondContact O-CB 3.42Å; F38-M41 PolarHBondContact O-N 2.85Å; F38-K46 HydrophobicContact CD2-CG 4.4Å; F38-K46 HydrophobicContact CE1-CD 4.1Å; F38-K46 HydrophobicContact CE1-CG 4.08Å; F38-K46 HydrophobicContact CE2-CB 3.99Å; F38-K46 HydrophobicContact CE2-CG 3.83Å; F38-K46 HydrophobicContact CZ-CB 3.75Å; F38-K46 HydrophobicContact CZ-CD 4.13Å; F38-K46 HydrophobicContact CZ-CG 3.66Å; F38-K46 WeakPolarHBondContact O-CE 3.24Å; F38-L49 HydrophobicContact CD2-CD1 4.25Å; F38-L49 HydrophobicContact CE2-CD1 4.26Å; F38-I71 HydrophobicContact CD2-CG2 3.69Å; F38-I71 HydrophobicContact CE2-CG2 3.67Å; F38-I71 HydrophobicContact CG-CG2 4.35Å; F38-I71 HydrophobicContact CZ-CG2 4.33Å; F38-Q74 HydrophobicContact CD1-CB 3.96Å; F38-Q74 HydrophobicContact CE1-CB 4.5Å; F38-A75 HydrophobicContact CE1-CB 3.77Å; F38-A75 HydrophobicContact CZ-CB 3.81Å
39S93.3Very high93.7Very high60 Ų6046.6 Ų46.642%0.4225%0.252SS..G310 helixtrans-49.1-34.8177.360.70000114.1S37 K46S37-S39 PolarHBondContact O-N 2.76Å; S39-K46 PolarHBondContact O-NZ 2.96Å
40H92.3Very high93.8Very high147 Ų14740.9 Ų40.968%0.68123%0.225SC*.G310 helixtrans-92.2-1.2-177.9-60.6-53.8000114.4M1 S37 F38M1-H40 HydrophobicContact CE-CB 3.54Å; S37-H40 PolarHBondContact O-N 3.38Å; F38-H40 PolarHBondContact O-N 2.69Å; F38-H40 VanDerWaalsContact O-N 3.07Å
41M93.7Very high93.9Very high7 Ų739.7 Ų39.73%0.03422%0.223CC..SBendtrans-76.7153.6176.7-64-170.576.300112.7M1 M5 V8 I34 S37 F38 K46 L49M1-M41 HydrophobicContact CE-CG 4.03Å; M1-M41 HydrophobicContact SD-CG 4.27Å; M5-M41 HydrophobicContact CG-CE 3.94Å; V8-M41 HydrophobicContact CB-CE 4.15Å; V8-M41 HydrophobicContact CG1-CE 4.3Å; V8-M41 HydrophobicContact CG2-CE 3.88Å; I34-M41 HydrophobicContact CG2-SD 4.32Å; S37-M41 PolarHBondContact O-N 3.03Å; F38-M41 WeakPolarHBondContact O-CB 3.42Å; F38-M41 PolarHBondContact O-N 2.85Å; M41-K46 HydrophobicContact CB-CG 4.03Å; M41-K46 WeakPolarHBondContact O-CE 3.48Å; M41-K46 PolarHBondContact O-NZ 3.11Å; M41-L49 HydrophobicContact CE-CD1 4.12Å; M41-L49 HydrophobicContact SD-CD1 3.84Å
42D93.6Very high93.9Very high56 Ų5639.6 Ų39.630%0.29922%0.222SC..  trans-70.5151.2174.173.133.7000113.4M5 R9 K44 S45 K46M5-D42 HydrophobicContact SD-CB 3.99Å; M5-D42 PolarHBondContact SD-N 3.26Å; M5-D42 VanDerWaalsContact SD-N 3.41Å; R9-D42 IonicContact CZ-OD1 3.55Å; R9-D42 IonicContact CZ-OD2 2.76Å; R9-D42 IonicContact NH1-OD2 2.68Å; R9-D42 IonicContact NH2-OD1 3.17Å; R9-D42 PolarHBondContact NH2-OD1 2.89Å; R9-D42 IonicContact NH2-OD2 2.71Å; R9-D42 PolarHBondContact NH2-OD2 3.15Å; D42-K44 VanDerWaalsContact C-N 3.26Å; D42-K44 PolarHBondContact O-N 3.28Å; D42-S45 PolarHBondContact O-N 3.21Å; D42-S45 WeakPolarHBondContact OD1-CB 3.47Å; D42-S45 PolarHBondContact OD1-N 3.5Å; D42-S45 PolarHBondContact OD1-OG 2.83Å; D42-K46 PolarHBondContact O-N 2.82Å
43V95Very high93.8Very high51 Ų5134.3 Ų34.331%0.30920%0.198SC..Hα-helixtrans-53.7-39.5-174.2175.50000112.5S45 K46 L47 N80 V83V43-S45 PolarHBondContact O-N 3.07Å; V43-K46 PolarHBondContact O-N 2.83Å; V43-L47 HydrophobicContact CG1-CD1 3.93Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 WeakPolarHBondContact O-CB 3.48Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.45Å; V43-L47 PolarHBondContact O-N 3.01Å; V43-N80 HydrophobicContact CG2-CB 4.3Å; V43-N80 WeakPolarHBondContact CG2-ND2 3.4Å; V43-V83 HydrophobicContact CG1-CG2 3.89Å
44K91.9Very high93.6Very high96 Ų9631.9 Ų31.942%0.41718%0.182SC..Hα-helixtrans-62.8-44.8177.2179.7168-174.4167.70110.6N16 D42 L47 C48N16-K44 PolarHBondContact OD1-NZ 3.5Å; D42-K44 VanDerWaalsContact C-N 3.26Å; D42-K44 PolarHBondContact O-N 3.28Å; K44-L47 PolarHBondContact O-N 3.37Å; K44-C48 PolarHBondContact O-N 3.2Å; K44-C48 PolarHBondContact O-SG 3.15Å
45S93.4Very high93.2Very high0 Ų036.5 Ų36.50%021%0.206CC..Hα-helixtrans-69.9-38.2-178.6-48.30000112.1R9 D42 V43 C48 L49R9-S45 PolarHBondContact NE-OG 2.84Å; R9-S45 VanDerWaalsContact NE-OG 3.1Å; D42-S45 PolarHBondContact O-N 3.21Å; D42-S45 WeakPolarHBondContact OD1-CB 3.47Å; D42-S45 PolarHBondContact OD1-N 3.5Å; D42-S45 PolarHBondContact OD1-OG 2.83Å; V43-S45 PolarHBondContact O-N 3.07Å; S45-C48 PolarHBondContact O-N 2.86Å; S45-L49 WeakPolarHBondContact O-CG 3.47Å; S45-L49 PolarHBondContact O-N 3.11Å; S45-L49 VanDerWaalsContact O-N 3.12Å
46K95.3Very high92.9Very high6 Ų636.8 Ų36.83%0.02621%0.207CC..Hα-helixtrans-56.2-49.8170.3-69.7178.4170.91690111.6F38 S39 M41 D42 V43 L49 L50 E78 V83F38-K46 HydrophobicContact CD2-CG 4.4Å; F38-K46 HydrophobicContact CE1-CD 4.1Å; F38-K46 HydrophobicContact CE1-CG 4.08Å; F38-K46 HydrophobicContact CE2-CB 3.99Å; F38-K46 HydrophobicContact CE2-CG 3.83Å; F38-K46 HydrophobicContact CZ-CB 3.75Å; F38-K46 HydrophobicContact CZ-CD 4.13Å; F38-K46 HydrophobicContact CZ-CG 3.66Å; F38-K46 WeakPolarHBondContact O-CE 3.24Å; S39-K46 PolarHBondContact O-NZ 2.96Å; M41-K46 HydrophobicContact CB-CG 4.03Å; M41-K46 WeakPolarHBondContact O-CE 3.48Å; M41-K46 PolarHBondContact O-NZ 3.11Å; D42-K46 PolarHBondContact O-N 2.82Å; V43-K46 PolarHBondContact O-N 2.83Å; K46-L49 PolarHBondContact O-N 3.1Å; K46-L50 WeakPolarHBondContact O-CG 3.39Å; K46-L50 PolarHBondContact O-N 3.06Å; K46-L50 VanDerWaalsContact O-N 3.13Å; K46-E78 WeakPolarHBondContact CE-OE2 3.48Å; K46-E78 IonicContact NZ-OE1 3.88Å; K46-E78 PolarHBondContact NZ-OE1 3.25Å; K46-E78 IonicContact NZ-OE2 2.74Å; K46-E78 PolarHBondContact NZ-OE2 2.97Å; K46-V83 HydrophobicContact CB-CG1 4.19Å; K46-V83 HydrophobicContact CB-CG2 4.22Å; K46-V83 HydrophobicContact CD-CG2 4.41Å
47L94.5Very high92.4Very high30 Ų3041.2 Ų41.216%0.15721%0.211CC..Hα-helixtrans-64.9-39.5178.6-69171.3000113V43 K44 L49 L51 L82 V83 V86V43-L47 HydrophobicContact CG1-CD1 3.93Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 WeakPolarHBondContact O-CB 3.48Å; V43-L47 VanDerWaalsContact O-CG 3.27Å; V43-L47 WeakPolarHBondContact O-CG 3.45Å; V43-L47 PolarHBondContact O-N 3.01Å; K44-L47 PolarHBondContact O-N 3.37Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 3.35Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CD1 3.49Å; L47-L51 WeakPolarHBondContact O-CG 3.45Å; L47-L51 PolarHBondContact O-N 2.94Å; L47-L51 VanDerWaalsContact O-N 3.09Å; L47-L82 HydrophobicContact CD1-CD2 3.85Å; L47-L82 HydrophobicContact CD1-CG 4.16Å; L47-L82 HydrophobicContact CD2-CG 4.47Å; L47-V83 HydrophobicContact CD2-CG2 4.21Å; L47-V83 HydrophobicContact CG-CG2 4.22Å; L47-V86 HydrophobicContact CD2-CB 3.83Å; L47-V86 HydrophobicContact CD2-CG1 3.98Å; L47-V86 HydrophobicContact CD2-CG2 3.84Å
48C92.5Very high92Very high2 Ų247.6 Ų47.61%0.01424%0.237CC..Hα-helixtrans-57.9-44174.6-68.40000111.9F13 K44 S45 A52F13-C48 VanDerWaalsContact CD1-SG 3.59Å; F13-C48 HydrophobicContact CD2-CB 3.82Å; F13-C48 WeakPolarHBondContact CD2-SG 3.46Å; F13-C48 HydrophobicContact CE2-CB 4.06Å; F13-C48 WeakPolarHBondContact CE2-SG 3.42Å; F13-C48 HydrophobicContact CG-CB 4.29Å; F13-C48 VanDerWaalsContact CG-SG 3.51Å; F13-C48 VanDerWaalsContact CZ-SG 3.58Å; K44-C48 PolarHBondContact O-N 3.2Å; K44-C48 PolarHBondContact O-SG 3.15Å; S45-C48 PolarHBondContact O-N 2.86Å; C48-A52 VanDerWaalsContact O-CB 3.29Å; C48-A52 WeakPolarHBondContact O-CB 3.46Å; C48-A52 PolarHBondContact O-N 2.98Å; C48-A52 VanDerWaalsContact O-N 3.08Å
49L94.1Very high91.6Very high0 Ų048 Ų480%024%0.24CC..Hα-helixtrans-64.9-52.6179-72.2166.1000111.8V8 F12 I34 F38 M41 S45 K46 L47 L51 A52 F53V8-L49 HydrophobicContact CG1-CD1 4.1Å; V8-L49 HydrophobicContact CG1-CD2 3.76Å; V8-L49 HydrophobicContact CG1-CG 3.67Å; V8-L49 HydrophobicContact CG2-CD1 4.4Å; V8-L49 HydrophobicContact CG2-CD2 4.08Å; F12-L49 HydrophobicContact CD1-CD2 4.3Å; F12-L49 HydrophobicContact CD2-CD2 4.16Å; F12-L49 HydrophobicContact CE1-CD2 4.26Å; F12-L49 HydrophobicContact CE2-CD2 4.11Å; F12-L49 HydrophobicContact CG-CD2 4.26Å; F12-L49 HydrophobicContact CZ-CD2 4.16Å; I34-L49 HydrophobicContact CD1-CD2 4.28Å; I34-L49 HydrophobicContact CG2-CD1 3.61Å; I34-L49 HydrophobicContact CG2-CD2 4.37Å; F38-L49 HydrophobicContact CD2-CD1 4.25Å; F38-L49 HydrophobicContact CE2-CD1 4.26Å; M41-L49 HydrophobicContact CE-CD1 4.12Å; M41-L49 HydrophobicContact SD-CD1 3.84Å; S45-L49 WeakPolarHBondContact O-CG 3.47Å; S45-L49 PolarHBondContact O-N 3.11Å; S45-L49 VanDerWaalsContact O-N 3.12Å; K46-L49 PolarHBondContact O-N 3.1Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 3.35Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 2.72Å; L49-A52 PolarHBondContact O-N 3.17Å; L49-A52 VanDerWaalsContact O-N 3.16Å; L49-F53 HydrophobicContact CB-CD2 4.14Å; L49-F53 HydrophobicContact CB-CE2 3.84Å; L49-F53 HydrophobicContact CD2-CE2 3.77Å; L49-F53 HydrophobicContact CD2-CZ 3.75Å; L49-F53 HydrophobicContact CG-CE2 4.33Å; L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 VanDerWaalsContact O-CD2 3.24Å; L49-F53 WeakPolarHBondContact O-CD2 3.31Å; L49-F53 WeakPolarHBondContact O-CG 3.29Å; L49-F53 PolarHBondContact O-N 2.92Å
50L94.4Very high91.4Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-58.4-44.3-178.8-65.5168.8000112K46 S54 F72 A75 V83 V86 A87 L90K46-L50 WeakPolarHBondContact O-CG 3.39Å; K46-L50 PolarHBondContact O-N 3.06Å; K46-L50 VanDerWaalsContact O-N 3.13Å; L50-S54 VanDerWaalsContact O-CB 3.31Å; L50-S54 WeakPolarHBondContact O-CB 3.32Å; L50-S54 PolarHBondContact O-N 2.86Å; L50-F72 HydrophobicContact CB-CE1 4.27Å; L50-F72 HydrophobicContact CB-CZ 4.43Å; L50-F72 HydrophobicContact CD2-CD1 3.59Å; L50-F72 HydrophobicContact CD2-CE1 3.54Å; L50-F72 HydrophobicContact CD2-CG 4.11Å; L50-F72 HydrophobicContact CD2-CZ 4.04Å; L50-F72 HydrophobicContact CG-CE1 4.5Å; L50-F72 WeakPolarHBondContact O-CZ 3.44Å; L50-A75 HydrophobicContact CD1-CB 3.83Å; L50-A75 HydrophobicContact CD2-CB 3.64Å; L50-A75 HydrophobicContact CG-CB 4.3Å; L50-V83 HydrophobicContact CD1-CG1 3.69Å; L50-V86 HydrophobicContact CB-CG1 4.4Å; L50-V86 HydrophobicContact CD1-CG1 4.44Å; L50-A87 HydrophobicContact CD1-CB 4.29Å; L50-L90 HydrophobicContact CB-CD1 4.34Å
51L93Very high91.3Very high67 Ų6749 Ų4935%0.35124%0.239SC..Hα-helixtrans-63.6-44.9177.1-71.1165.9000111.3T18 L47 L49 S54 N55 L90T18-L51 HydrophobicContact CG2-CB 3.47Å; T18-L51 VanDerWaalsContact CG2-CB 3.47Å; L47-L51 WeakPolarHBondContact O-CB 3.46Å; L47-L51 WeakPolarHBondContact O-CD1 3.49Å; L47-L51 WeakPolarHBondContact O-CG 3.45Å; L47-L51 PolarHBondContact O-N 2.94Å; L47-L51 VanDerWaalsContact O-N 3.09Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 2.72Å; L51-S54 PolarHBondContact O-N 3.44Å; L51-S54 PolarHBondContact O-OG 2.91Å; L51-N55 PolarHBondContact O-N 3.16Å; L51-N55 PolarHBondContact O-ND2 3.07Å; L51-L90 HydrophobicContact CD2-CD1 4.06Å
52A92.4Very high91.1Very high1 Ų156.2 Ų56.21%0.00827%0.273CS..Hα-helixtrans-66.9-49.7-178.800000112.1F12 T18 C48 L49 S54 N55 M56F12-A52 HydrophobicContact CB-CB 4.2Å; F12-A52 HydrophobicContact CD1-CB 3.82Å; F12-A52 HydrophobicContact CG-CB 4.5Å; T18-A52 HydrophobicContact CG2-CB 4.04Å; C48-A52 VanDerWaalsContact O-CB 3.29Å; C48-A52 WeakPolarHBondContact O-CB 3.46Å; C48-A52 PolarHBondContact O-N 2.98Å; C48-A52 VanDerWaalsContact O-N 3.08Å; L49-A52 PolarHBondContact O-N 3.17Å; L49-A52 VanDerWaalsContact O-N 3.16Å; A52-S54 PolarHBondContact O-N 2.97Å; A52-N55 PolarHBondContact O-N 3.49Å; A52-M56 WeakPolarHBondContact O-CG 3.46Å; A52-M56 PolarHBondContact O-N 2.99Å
53F91.7Very high91Very high1 Ų158 Ų580%0.00428%0.279CS..Hα-helixtrans-62.2-27.6176.6-64.2-40.2000112.9F12 L26 L31 L49 N55 M56 I68 I71 F72 Q94F12-F53 HydrophobicContact CE1-CD1 4.36Å; F12-F53 AromaticContact CE1-CE1 3.63Å; F12-F53 HydrophobicContact CE1-CE1 3.63Å; F12-F53 HydrophobicContact CE1-CZ 4.09Å; F12-F53 HydrophobicContact CZ-CE1 4.19Å; F12-F53 HydrophobicContact CZ-CZ 4.34Å; L26-F53 HydrophobicContact CD2-CE1 4.22Å; L31-F53 HydrophobicContact CD1-CE1 4.04Å; L31-F53 HydrophobicContact CD1-CE2 4.44Å; L31-F53 HydrophobicContact CD1-CZ 3.55Å; L49-F53 HydrophobicContact CB-CD2 4.14Å; L49-F53 HydrophobicContact CB-CE2 3.84Å; L49-F53 HydrophobicContact CD2-CE2 3.77Å; L49-F53 HydrophobicContact CD2-CZ 3.75Å; L49-F53 HydrophobicContact CG-CE2 4.33Å; L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 VanDerWaalsContact O-CD2 3.24Å; L49-F53 WeakPolarHBondContact O-CD2 3.31Å; L49-F53 WeakPolarHBondContact O-CG 3.29Å; L49-F53 PolarHBondContact O-N 2.92Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 2.67Å; F53-M56 HydrophobicContact CD1-CE 3.95Å; F53-M56 HydrophobicContact CD1-SD 3.67Å; F53-M56 HydrophobicContact CE1-CE 4.34Å; F53-M56 HydrophobicContact CE1-SD 4.28Å; F53-I68 HydrophobicContact CB-CG2 3.86Å; F53-I68 HydrophobicContact CD1-CD1 3.75Å; F53-I68 HydrophobicContact CD1-CG1 3.75Å; F53-I68 HydrophobicContact CD2-CG1 4.37Å; F53-I68 HydrophobicContact CD2-CG2 4.43Å; F53-I68 HydrophobicContact CE1-CD1 4.08Å; F53-I68 HydrophobicContact CE1-CG1 3.89Å; F53-I68 HydrophobicContact CE2-CG1 4.48Å; F53-I68 HydrophobicContact CG-CD1 4.34Å; F53-I68 HydrophobicContact CG-CG1 4.03Å; F53-I68 HydrophobicContact CG-CG2 4.07Å; F53-I68 HydrophobicContact CZ-CG1 4.27Å; F53-I71 HydrophobicContact CD2-CG2 4.36Å; F53-I71 HydrophobicContact CE2-CD1 3.92Å; F53-I71 HydrophobicContact CE2-CG2 4.16Å; F53-I71 HydrophobicContact CZ-CD1 4.36Å; F53-F72 HydrophobicContact CB-CE2 3.79Å; F53-F72 HydrophobicContact CB-CZ 4.37Å; F53-Q94 PolarHBondContact O-NE2 3.42Å
54S90.3Very high90.9Very high10 Ų1055.8 Ų55.87%0.0727%0.266CS..Hα-helixtrans-71.2-22.1172.386.30000113.6L50 L51 A52 K93L50-S54 VanDerWaalsContact O-CB 3.31Å; L50-S54 WeakPolarHBondContact O-CB 3.32Å; L50-S54 PolarHBondContact O-N 2.86Å; L51-S54 PolarHBondContact O-N 3.44Å; L51-S54 PolarHBondContact O-OG 2.91Å; A52-S54 PolarHBondContact O-N 2.97Å; S54-K93 WeakPolarHBondContact O-CD 3.47Å; S54-K93 VanDerWaalsContact O-CE 3.3Å; S54-K93 WeakPolarHBondContact O-CE 3.44Å; S54-K93 PolarHBondContact O-NZ 3.27Å
55N87.1Confident90.8Very high98 Ų9852.8 Ų52.852%0.52425%0.254SS..Hα-helixtrans-101.2-14.4-177.3-72.2-24.8000113.1L51 A52 F53 K93L51-N55 PolarHBondContact O-N 3.16Å; L51-N55 PolarHBondContact O-ND2 3.07Å; A52-N55 PolarHBondContact O-N 3.49Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 2.67Å; N55-K93 PolarHBondContact OD1-NZ 3.02Å
56M87.2Confident90.8Very high25 Ų2558.5 Ų58.512%0.12328%0.279CS..SBendtrans-69.9150.7171-74.216251.600111.2I21 P23 L26 A52 F53 I68I21-M56 HydrophobicContact CB-CG 4.44Å; I21-M56 HydrophobicContact CB-SD 4.3Å; I21-M56 HydrophobicContact CG2-SD 4.48Å; P23-M56 HydrophobicContact CB-CE 4.02Å; L26-M56 HydrophobicContact CD1-CE 3.57Å; L26-M56 HydrophobicContact CD2-CE 4.35Å; A52-M56 WeakPolarHBondContact O-CG 3.46Å; A52-M56 PolarHBondContact O-N 2.99Å; F53-M56 HydrophobicContact CD1-CE 3.95Å; F53-M56 HydrophobicContact CD1-SD 3.67Å; F53-M56 HydrophobicContact CE1-CE 4.34Å; F53-M56 HydrophobicContact CE1-SD 4.28Å; M56-I68 HydrophobicContact CE-CD1 4.04Å
57K85.7Confident90.8Very high175 Ų17559.2 Ų59.276%0.76128%0.282SS*.PPolyproline II helixtrans-73.5159166.4-63.8176.9-177.81760109.2P23 S59P23-K57 VanDerWaalsContact CB-O 3.31Å; P23-K57 WeakPolarHBondContact CB-O 3.22Å; P23-K57 HydrophobicContact CG-CB 4.23Å; P23-K57 WeakPolarHBondContact CG-O 3.5Å; K57-S59 PolarHBondContact O-N 3.17Å
58Q84.9Confident90.7Very high168 Ų16858.2 Ų58.279%0.78528%0.277SS*.PPolyproline II helixtrans-60.8131.1169.9-166.1172.418.500109.5N65Q58-N65 WeakPolarHBondContact CG-OD1 3.47Å
59S87.9Confident90.7Very high9 Ų963 Ų636%0.06330%0.299CS..PPolyproline II helixtrans-69.8154.5177.4-177.50000110.8D24 K57 V61 N65D24-S59 WeakPolarHBondContact OD1-CA 3.46Å; D24-S59 WeakPolarHBondContact OD1-CB 3.2Å; D24-S59 PolarHBondContact OD1-OG 2.69Å; K57-S59 PolarHBondContact O-N 3.17Å; S59-V61 PolarHBondContact OG-N 2.84Å; S59-N65 PolarHBondContact N-OD1 2.95Å; S59-N65 PolarHBondContact O-ND2 3.5Å
60K88Confident90.7Very high178 Ų17865.5 Ų65.577%0.77431%0.312SS*.SBendtrans-68.7-24.1164.6-58.5-174.6-162.179.80112D24D24-K60 PolarHBondContact OD1-N 3.25Å; D24-K60 WeakPolarHBondContact OD2-CG 3.48Å; D24-K60 IonicContact OD2-NZ 2.6Å; D24-K60 PolarHBondContact OD2-NZ 3.07Å
61V90.4Very high90.8Very high50 Ų5065.5 Ų65.530%0.30331%0.312SS..  trans-84.7117.2179.3-173.30000109.5S59 Q63 I64 N65S59-V61 PolarHBondContact OG-N 2.84Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 HydrophobicContact CG1-CB 4.16Å; V61-Q63 PolarHBondContact O-N 3.46Å; V61-I64 HydrophobicContact CB-CB 4.23Å; V61-I64 HydrophobicContact CB-CD1 3.92Å; V61-I64 HydrophobicContact CB-CG1 3.99Å; V61-I64 HydrophobicContact CG1-CB 4.5Å; V61-I64 HydrophobicContact CG1-CD1 4.26Å; V61-I64 HydrophobicContact CG1-CG1 4Å; V61-I64 HydrophobicContact CG2-CD1 4.15Å; V61-I64 PolarHBondContact O-N 3.45Å; V61-N65 PolarHBondContact O-N 3.47Å; V61-N65 PolarHBondContact O-ND2 2.93Å
62Q89.4Confident90.8Very high157 Ų15762.3 Ų62.373%0.73430%0.296SS*.Hα-helixtrans-66.2-33.1-176.7-69.2-172.7-13.300112.5N65 K66Q62-N65 PolarHBondContact O-N 3.29Å; Q62-K66 WeakPolarHBondContact O-CB 3.48Å; Q62-K66 PolarHBondContact O-N 3.18Å
63Q91.9Very high90.9Very high93 Ų9366.1 Ų66.144%0.43532%0.316SS..Hα-helixtrans-63.4-43.6178.2-64.384.7-25.700111.8E28 V61 N65 K66 H67E28-Q63 HydrophobicContact CG-CB 4.34Å; E28-Q63 WeakPolarHBondContact OE1-CB 3.42Å; E28-Q63 VanDerWaalsContact OE1-CG 3.3Å; E28-Q63 WeakPolarHBondContact OE1-CG 3.4Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 HydrophobicContact CG1-CB 4.16Å; V61-Q63 PolarHBondContact O-N 3.46Å; Q63-N65 VanDerWaalsContact C-N 3.34Å; Q63-N65 PolarHBondContact O-N 2.85Å; Q63-K66 WeakPolarHBondContact O-CB 3.37Å; Q63-K66 PolarHBondContact O-N 3.25Å; Q63-H67 PolarHBondContact O-CD2 3.09Å; Q63-H67 PolarHBondContact O-N 3.22Å
64I92.2Very high91.1Very high6 Ų669.1 Ų69.13%0.03133%0.33CS..Hα-helixtrans-59.3-46174.8-67.1180000110.6L26 L31 V61 K66 I68L26-I64 HydrophobicContact CB-CD1 4.46Å; L31-I64 HydrophobicContact CD2-CB 4.22Å; L31-I64 HydrophobicContact CD2-CG1 4.39Å; L31-I64 HydrophobicContact CD2-CG2 3.87Å; V61-I64 HydrophobicContact CB-CB 4.23Å; V61-I64 HydrophobicContact CB-CD1 3.92Å; V61-I64 HydrophobicContact CB-CG1 3.99Å; V61-I64 HydrophobicContact CG1-CB 4.5Å; V61-I64 HydrophobicContact CG1-CD1 4.26Å; V61-I64 HydrophobicContact CG1-CG1 4Å; V61-I64 HydrophobicContact CG2-CD1 4.15Å; V61-I64 PolarHBondContact O-N 3.45Å; I64-K66 PolarHBondContact O-N 3.09Å; I64-I68 HydrophobicContact CG2-CD1 3.97Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 2.89Å; I64-I68 VanDerWaalsContact O-N 3.13Å
65N91.2Very high91.4Very high32 Ų3268.6 Ų68.617%0.17133%0.326CS..Hα-helixtrans-62.8-41.6176.6-62.5-46.1000112Q58 S59 V61 Q62 Q63 I68 E69Q58-N65 WeakPolarHBondContact CG-OD1 3.47Å; S59-N65 PolarHBondContact N-OD1 2.95Å; S59-N65 PolarHBondContact O-ND2 3.5Å; V61-N65 PolarHBondContact O-N 3.47Å; V61-N65 PolarHBondContact O-ND2 2.93Å; Q62-N65 PolarHBondContact O-N 3.29Å; Q63-N65 VanDerWaalsContact C-N 3.34Å; Q63-N65 PolarHBondContact O-N 2.85Å; N65-I68 PolarHBondContact O-N 3.39Å; N65-E69 WeakPolarHBondContact O-CB 3.46Å; N65-E69 PolarHBondContact O-N 3.21Å
66K93.2Very high91.7Very high121 Ų12165.7 Ų65.753%0.52631%0.31SS..Hα-helixtrans-61.7-45.8179-176.4-166.7174.2-163.50112.4Q62 Q63 I64 I68 E69 N70Q62-K66 WeakPolarHBondContact O-CB 3.48Å; Q62-K66 PolarHBondContact O-N 3.18Å; Q63-K66 WeakPolarHBondContact O-CB 3.37Å; Q63-K66 PolarHBondContact O-N 3.25Å; I64-K66 PolarHBondContact O-N 3.09Å; K66-I68 VanDerWaalsContact C-N 3.33Å; K66-I68 PolarHBondContact O-N 2.86Å; K66-E69 PolarHBondContact O-N 3.14Å; K66-N70 VanDerWaalsContact O-CG 3.29Å; K66-N70 PolarHBondContact O-N 2.83Å; K66-N70 PolarHBondContact O-OD1 3.28Å
67H94.1Very high92Very high21 Ų2171 Ų7110%0.09734%0.34CS..Hα-helixtrans-66.4-35.6176.5-70.9-66.8000112.1L31 D35 Q63 N70 I71L31-H67 HydrophobicContact CD2-CB 3.81Å; L31-H67 HydrophobicContact CG-CB 3.69Å; D35-H67 HydrophobicContact CB-CB 4.44Å; D35-H67 IonicContact OD2-CE1 3.79Å; D35-H67 IonicContact OD2-CG 3.73Å; D35-H67 IonicContact OD2-ND1 2.8Å; D35-H67 PolarHBondContact OD2-ND1 3.23Å; Q63-H67 PolarHBondContact O-CD2 3.09Å; Q63-H67 PolarHBondContact O-N 3.22Å; H67-N70 PolarHBondContact O-N 2.72Å; H67-I71 WeakPolarHBondContact O-CB 3.43Å; H67-I71 WeakPolarHBondContact O-CD1 3.49Å; H67-I71 WeakPolarHBondContact O-CG1 3.4Å; H67-I71 PolarHBondContact O-N 2.99Å
68I93Very high92.4Very high8 Ų864 Ų644%0.04131%0.309CS..Hα-helixtrans-63.3-44.3173-71.2169000110.9L31 F53 M56 I64 N65 K66 I71 F72 Q94L31-I68 HydrophobicContact CD1-CG1 4.48Å; L31-I68 HydrophobicContact CD2-CG1 4.26Å; F53-I68 HydrophobicContact CB-CG2 3.86Å; F53-I68 HydrophobicContact CD1-CD1 3.75Å; F53-I68 HydrophobicContact CD1-CG1 3.75Å; F53-I68 HydrophobicContact CD2-CG1 4.37Å; F53-I68 HydrophobicContact CD2-CG2 4.43Å; F53-I68 HydrophobicContact CE1-CD1 4.08Å; F53-I68 HydrophobicContact CE1-CG1 3.89Å; F53-I68 HydrophobicContact CE2-CG1 4.48Å; F53-I68 HydrophobicContact CG-CD1 4.34Å; F53-I68 HydrophobicContact CG-CG1 4.03Å; F53-I68 HydrophobicContact CG-CG2 4.07Å; F53-I68 HydrophobicContact CZ-CG1 4.27Å; M56-I68 HydrophobicContact CE-CD1 4.04Å; I64-I68 HydrophobicContact CG2-CD1 3.97Å; I64-I68 WeakPolarHBondContact O-CG1 3.44Å; I64-I68 PolarHBondContact O-N 2.89Å; I64-I68 VanDerWaalsContact O-N 3.13Å; N65-I68 PolarHBondContact O-N 3.39Å; K66-I68 VanDerWaalsContact C-N 3.33Å; K66-I68 PolarHBondContact O-N 2.86Å; I68-I71 PolarHBondContact O-N 2.66Å; I68-F72 HydrophobicContact CG2-CD2 4.01Å; I68-F72 HydrophobicContact CG2-CE2 4.08Å; I68-F72 WeakPolarHBondContact O-CD2 3.32Å; I68-F72 PolarHBondContact O-N 3.43Å; I68-Q94 VanDerWaalsContact CG2-NE2 3.29Å
69E92.6Very high92.8Very high103 Ų10364.8 Ų64.848%0.48131%0.313SS..Hα-helixtrans-61.7-46.8176-173.7170.4-15600111.5N65 K66 I71 F72 L73N65-E69 WeakPolarHBondContact O-CB 3.46Å; N65-E69 PolarHBondContact O-N 3.21Å; K66-E69 PolarHBondContact O-N 3.14Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.35Å; E69-F72 PolarHBondContact O-N 3.12Å; E69-F72 VanDerWaalsContact O-N 3.14Å; E69-L73 HydrophobicContact CG-CD1 4.38Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.07Å
70N94.4Very high93.1Very high52 Ų5267 Ų6728%0.27832%0.324SS..Hα-helixtrans-54.7-45.9172.8-71.8-11.5000112.2D35 K66 H67 F72 L73 Q74D35-N70 WeakPolarHBondContact OD1-CB 3.44Å; D35-N70 WeakPolarHBondContact OD2-CB 3.49Å; D35-N70 PolarHBondContact OD2-ND2 3.47Å; K66-N70 VanDerWaalsContact O-CG 3.29Å; K66-N70 PolarHBondContact O-N 2.83Å; K66-N70 PolarHBondContact O-OD1 3.28Å; H67-N70 PolarHBondContact O-N 2.72Å; N70-F72 VanDerWaalsContact C-N 3.32Å; N70-F72 PolarHBondContact O-N 3.07Å; N70-L73 PolarHBondContact O-N 2.92Å; N70-Q74 WeakPolarHBondContact O-CG 3.4Å; N70-Q74 PolarHBondContact O-N 3.35Å
71I95.3Very high93.3Very high0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-62.8-38.5178.7-72.4161.7000111.2L31 I34 D35 F38 F53 H67 I68 E69 A75L31-I71 HydrophobicContact CD1-CD1 3.98Å; I34-I71 HydrophobicContact CB-CD1 4.39Å; I34-I71 HydrophobicContact CG2-CD1 3.73Å; D35-I71 HydrophobicContact CB-CD1 4.23Å; D35-I71 HydrophobicContact CB-CG1 4.1Å; F38-I71 HydrophobicContact CD2-CG2 3.69Å; F38-I71 HydrophobicContact CE2-CG2 3.67Å; F38-I71 HydrophobicContact CG-CG2 4.35Å; F38-I71 HydrophobicContact CZ-CG2 4.33Å; F53-I71 HydrophobicContact CD2-CG2 4.36Å; F53-I71 HydrophobicContact CE2-CD1 3.92Å; F53-I71 HydrophobicContact CE2-CG2 4.16Å; F53-I71 HydrophobicContact CZ-CD1 4.36Å; H67-I71 WeakPolarHBondContact O-CB 3.43Å; H67-I71 WeakPolarHBondContact O-CD1 3.49Å; H67-I71 WeakPolarHBondContact O-CG1 3.4Å; H67-I71 PolarHBondContact O-N 2.99Å; I68-I71 PolarHBondContact O-N 2.66Å; E69-I71 VanDerWaalsContact C-N 3.33Å; E69-I71 PolarHBondContact O-N 3.35Å; I71-A75 VanDerWaalsContact O-CB 3.31Å; I71-A75 WeakPolarHBondContact O-CB 3.26Å; I71-A75 PolarHBondContact O-N 2.87Å
72F94.5Very high93.5Very high0 Ų064.1 Ų64.10%032%0.315CS..Hα-helixtrans-66.4-41.9172.6-90.1-76000112.4L50 F53 I68 E69 N70 A75 L76 L90L50-F72 HydrophobicContact CB-CE1 4.27Å; L50-F72 HydrophobicContact CB-CZ 4.43Å; L50-F72 HydrophobicContact CD2-CD1 3.59Å; L50-F72 HydrophobicContact CD2-CE1 3.54Å; L50-F72 HydrophobicContact CD2-CG 4.11Å; L50-F72 HydrophobicContact CD2-CZ 4.04Å; L50-F72 HydrophobicContact CG-CE1 4.5Å; L50-F72 WeakPolarHBondContact O-CZ 3.44Å; F53-F72 HydrophobicContact CB-CE2 3.79Å; F53-F72 HydrophobicContact CB-CZ 4.37Å; I68-F72 HydrophobicContact CG2-CD2 4.01Å; I68-F72 HydrophobicContact CG2-CE2 4.08Å; I68-F72 WeakPolarHBondContact O-CD2 3.32Å; I68-F72 PolarHBondContact O-N 3.43Å; E69-F72 PolarHBondContact O-N 3.12Å; E69-F72 VanDerWaalsContact O-N 3.14Å; N70-F72 VanDerWaalsContact C-N 3.32Å; N70-F72 PolarHBondContact O-N 3.07Å; F72-A75 PolarHBondContact O-N 3.02Å; F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 2.96Å; F72-L90 HydrophobicContact CE1-CB 3.76Å; F72-L90 HydrophobicContact CZ-CB 4.32Å
73L94.1Very high93.8Very high82 Ų8256.7 Ų56.743%0.42928%0.28SS..Hα-helixtrans-63.2-46.2177-67.7172.5000111.5E69 N70 A75 L76E69-L73 HydrophobicContact CG-CD1 4.38Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.07Å; N70-L73 PolarHBondContact O-N 2.92Å; L73-A75 VanDerWaalsContact C-N 3.26Å; L73-A75 PolarHBondContact O-N 3.41Å; L73-L76 HydrophobicContact CD2-CD1 4.37Å; L73-L76 WeakPolarHBondContact O-CB 3.45Å; L73-L76 PolarHBondContact O-N 3.4Å; L73-L76 VanDerWaalsContact O-N 3.1Å
74Q95.7Very high93.9Very high63 Ų6354.7 Ų54.729%0.29427%0.27SS..Hα-helixtrans-56.8-41.3172.6-72.2-169.461.600111.8D35 F38 N70 L76 D77 E78D35-Q74 PolarHBondContact O-NE2 2.9Å; D35-Q74 PolarHBondContact OD1-NE2 3.37Å; F38-Q74 HydrophobicContact CD1-CB 3.96Å; F38-Q74 HydrophobicContact CE1-CB 4.5Å; N70-Q74 WeakPolarHBondContact O-CG 3.4Å; N70-Q74 PolarHBondContact O-N 3.35Å; Q74-L76 VanDerWaalsContact C-N 3.28Å; Q74-L76 PolarHBondContact O-N 3.05Å; Q74-D77 PolarHBondContact O-N 3.33Å; Q74-E78 PolarHBondContact O-N 3.47Å
75A96.1Very high93.9Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-70.6-19.2179.200000114.3F38 L50 I71 F72 L73 E78 V83 K84 A87F38-A75 HydrophobicContact CE1-CB 3.77Å; F38-A75 HydrophobicContact CZ-CB 3.81Å; L50-A75 HydrophobicContact CD1-CB 3.83Å; L50-A75 HydrophobicContact CD2-CB 3.64Å; L50-A75 HydrophobicContact CG-CB 4.3Å; I71-A75 VanDerWaalsContact O-CB 3.31Å; I71-A75 WeakPolarHBondContact O-CB 3.26Å; I71-A75 PolarHBondContact O-N 2.87Å; F72-A75 PolarHBondContact O-N 3.02Å; L73-A75 VanDerWaalsContact C-N 3.26Å; L73-A75 PolarHBondContact O-N 3.41Å; A75-E78 WeakPolarHBondContact O-CB 3.38Å; A75-V83 HydrophobicContact CB-CG1 4.2Å; A75-K84 WeakPolarHBondContact O-CA 3.49Å; A75-A87 HydrophobicContact CB-CB 3.64Å; A75-A87 WeakPolarHBondContact O-CB 3.31Å
76L94Very high94.1Very high36 Ų3654.4 Ų54.419%0.18827%0.27CS..Hα-helixtrans-74.9-25.1172-70.8172.2000112.5F72 L73 Q74 K84 A87 H91F72-L76 WeakPolarHBondContact O-CG 3.46Å; F72-L76 PolarHBondContact O-N 2.96Å; L73-L76 HydrophobicContact CD2-CD1 4.37Å; L73-L76 WeakPolarHBondContact O-CB 3.45Å; L73-L76 PolarHBondContact O-N 3.4Å; L73-L76 VanDerWaalsContact O-N 3.1Å; Q74-L76 VanDerWaalsContact C-N 3.28Å; Q74-L76 PolarHBondContact O-N 3.05Å; L76-K84 VanDerWaalsContact O-CE 3.32Å; L76-K84 WeakPolarHBondContact O-CE 3.42Å; L76-K84 WeakPolarHBondContact O-CG 3.46Å; L76-K84 PolarHBondContact O-NZ 3.43Å; L76-A87 HydrophobicContact CD2-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.29Å; L76-H91 HydrophobicContact CD1-CB 4.43Å; L76-H91 HydrophobicContact CD2-CB 4.45Å
77D93.9Very high94.2Very high138 Ų13848.6 Ų48.674%0.73825%0.245SC*.Hα-helixtrans-103.92.9178-76.6-34.5000114.7Q74 K84Q74-D77 PolarHBondContact O-N 3.33Å; D77-K84 IonicContact OD1-NZ 2.72Å
78E94.3Very high94.1Very high27 Ų2748.9 Ų48.913%0.12625%0.248CC..  trans-55.3135.8175.3-179.567-140.200114.3K46 Q74 A75 N80 V83K46-E78 WeakPolarHBondContact CE-OE2 3.48Å; K46-E78 IonicContact NZ-OE1 3.88Å; K46-E78 PolarHBondContact NZ-OE1 3.25Å; K46-E78 IonicContact NZ-OE2 2.74Å; K46-E78 PolarHBondContact NZ-OE2 2.97Å; Q74-E78 PolarHBondContact O-N 3.47Å; A75-E78 WeakPolarHBondContact O-CB 3.38Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 HydrophobicContact CG-CB 4.07Å; E78-N80 PolarHBondContact O-N 3.49Å; E78-V83 HydrophobicContact CB-CB 4.46Å; E78-V83 HydrophobicContact CB-CG1 4.28Å; E78-V83 HydrophobicContact CG-CB 3.72Å; E78-V83 HydrophobicContact CG-CG1 3.79Å; E78-V83 HydrophobicContact CG-CG2 4.33Å
79E92.3Very high94.1Very high185 Ų18550.8 Ų50.886%0.86426%0.258SS*.SBendtrans-62.6-31177.9-61-176.7169.900113N81E79-N81 PolarHBondContact O-N 3.42Å; E79-N81 VanDerWaalsContact O-N 3.14Å
80N94.6Very high94.2Very high55 Ų5546.5 Ų46.529%0.29424%0.238SC..  trans-76.2103.6-179-167.5-77.8000111.7V43 E78 L82 V83 K84V43-N80 HydrophobicContact CG2-CB 4.3Å; V43-N80 WeakPolarHBondContact CG2-ND2 3.4Å; E78-N80 VanDerWaalsContact C-N 3.26Å; E78-N80 HydrophobicContact CG-CB 4.07Å; E78-N80 PolarHBondContact O-N 3.49Å; N80-L82 PolarHBondContact O-N 3.16Å; N80-L82 WeakPolarHBondContact OD1-CB 3.48Å; N80-L82 PolarHBondContact OD1-N 3.26Å; N80-L82 VanDerWaalsContact OD1-N 3.15Å; N80-V83 HydrophobicContact CB-CB 4.29Å; N80-V83 HydrophobicContact CB-CG2 3.95Å; N80-V83 PolarHBondContact O-N 2.91Å; N80-V83 PolarHBondContact OD1-N 3.33Å; N80-K84 PolarHBondContact O-N 3.43Å
81N92.6Very high93.9Very high77 Ų7746.6 Ų46.641%0.41224%0.237SC..Hα-helixtrans-45.5-32.7178.3-63.9-80.3000115.3E79 A85 T106 N107E79-N81 PolarHBondContact O-N 3.42Å; E79-N81 VanDerWaalsContact O-N 3.14Å; N81-A85 WeakPolarHBondContact O-CB 3.31Å; N81-A85 PolarHBondContact O-N 2.98Å; N81-T106 PolarHBondContact OD1-O 2.63Å; N81-N107 HydrophobicContact CB-CB 4.46Å
82L93.3Very high93.3Very high91 Ų9147.3 Ų47.348%0.47624%0.242SC..Hα-helixtrans-75.1-40.8178.4178.161.6000111.8L47 N80 V86L47-L82 HydrophobicContact CD1-CD2 3.85Å; L47-L82 HydrophobicContact CD1-CG 4.16Å; L47-L82 HydrophobicContact CD2-CG 4.47Å; N80-L82 PolarHBondContact O-N 3.16Å; N80-L82 WeakPolarHBondContact OD1-CB 3.48Å; N80-L82 PolarHBondContact OD1-N 3.26Å; N80-L82 VanDerWaalsContact OD1-N 3.15Å; L82-V86 HydrophobicContact CD1-CG2 4.34Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.03Å; L82-V86 PolarHBondContact O-N 3.36Å
83V95.6Very high92.8Very high0 Ų049.7 Ų49.70%025%0.252CS..Hα-helixtrans-65.5-46.4173.7-175.90000109.8V43 K46 L47 L50 A75 E78 N80 A85 V86 A87V43-V83 HydrophobicContact CG1-CG2 3.89Å; K46-V83 HydrophobicContact CB-CG1 4.19Å; K46-V83 HydrophobicContact CB-CG2 4.22Å; K46-V83 HydrophobicContact CD-CG2 4.41Å; L47-V83 HydrophobicContact CD2-CG2 4.21Å; L47-V83 HydrophobicContact CG-CG2 4.22Å; L50-V83 HydrophobicContact CD1-CG1 3.69Å; A75-V83 HydrophobicContact CB-CG1 4.2Å; E78-V83 HydrophobicContact CB-CB 4.46Å; E78-V83 HydrophobicContact CB-CG1 4.28Å; E78-V83 HydrophobicContact CG-CB 3.72Å; E78-V83 HydrophobicContact CG-CG1 3.79Å; E78-V83 HydrophobicContact CG-CG2 4.33Å; N80-V83 HydrophobicContact CB-CB 4.29Å; N80-V83 HydrophobicContact CB-CG2 3.95Å; N80-V83 PolarHBondContact O-N 2.91Å; N80-V83 PolarHBondContact OD1-N 3.33Å; V83-A85 VanDerWaalsContact C-N 3.35Å; V83-A85 PolarHBondContact O-N 3.31Å; V83-V86 PolarHBondContact O-N 2.89Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.3Å
84K94.5Very high91.9Very high52 Ų5249.7 Ų49.723%0.22625%0.25CC..Hα-helixtrans-58-42.7176.5-166.5174-173.4920112.5A75 L76 D77 N80 T88A75-K84 WeakPolarHBondContact O-CA 3.49Å; L76-K84 VanDerWaalsContact O-CE 3.32Å; L76-K84 WeakPolarHBondContact O-CE 3.42Å; L76-K84 WeakPolarHBondContact O-CG 3.46Å; L76-K84 PolarHBondContact O-NZ 3.43Å; D77-K84 IonicContact OD1-NZ 2.72Å; N80-K84 PolarHBondContact O-N 3.43Å; K84-T88 VanDerWaalsContact O-CB 3.3Å; K84-T88 WeakPolarHBondContact O-CB 3.38Å; K84-T88 PolarHBondContact O-N 2.93Å; K84-T88 PolarHBondContact O-OG1 3.01Å
85A93.6Very high90.8Very high4 Ų451.4 Ų51.43%0.03327%0.265CS..Hα-helixtrans-63.8-47.4173.600000112.5N81 V83 T88 I89 F110N81-A85 WeakPolarHBondContact O-CB 3.31Å; N81-A85 PolarHBondContact O-N 2.98Å; V83-A85 VanDerWaalsContact C-N 3.35Å; V83-A85 PolarHBondContact O-N 3.31Å; A85-T88 PolarHBondContact O-N 3.07Å; A85-I89 VanDerWaalsContact O-CG1 3.3Å; A85-I89 WeakPolarHBondContact O-CG1 3.48Å; A85-I89 PolarHBondContact O-N 2.9Å; A85-F110 HydrophobicContact CB-CE2 4.11Å
86V94.5Very high90.1Very high27 Ų2756.3 Ų56.316%0.16429%0.29CS..Hα-helixtrans-66-40.4179.7168.60000111.7L47 L50 L82 V83 I89 L90L47-V86 HydrophobicContact CD2-CB 3.83Å; L47-V86 HydrophobicContact CD2-CG1 3.98Å; L47-V86 HydrophobicContact CD2-CG2 3.84Å; L50-V86 HydrophobicContact CB-CG1 4.4Å; L50-V86 HydrophobicContact CD1-CG1 4.44Å; L82-V86 HydrophobicContact CD1-CG2 4.34Å; L82-V86 WeakPolarHBondContact O-CB 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.03Å; L82-V86 PolarHBondContact O-N 3.36Å; V83-V86 PolarHBondContact O-N 2.89Å; V86-I89 PolarHBondContact O-N 2.95Å; V86-L90 HydrophobicContact CG1-CD1 3.59Å; V86-L90 HydrophobicContact CG1-CG 4.35Å; V86-L90 WeakPolarHBondContact O-CB 3.33Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 3.09Å
87A94.6Very high89.7Confident0 Ų061.4 Ų61.40%032%0.318CS..Hα-helixtrans-60.5-45172.100000111.3L50 A75 L76 V83 I89 L90 H91L50-A87 HydrophobicContact CD1-CB 4.29Å; A75-A87 HydrophobicContact CB-CB 3.64Å; A75-A87 WeakPolarHBondContact O-CB 3.31Å; L76-A87 HydrophobicContact CD2-CB 3.92Å; L76-A87 HydrophobicContact CG-CB 4.29Å; V83-A87 WeakPolarHBondContact O-CB 3.4Å; V83-A87 PolarHBondContact O-N 3.3Å; A87-I89 VanDerWaalsContact C-N 3.33Å; A87-I89 PolarHBondContact O-N 3.28Å; A87-L90 PolarHBondContact O-N 3.28Å; A87-H91 WeakPolarHBondContact O-CB 3.36Å; A87-H91 PolarHBondContact O-N 3.12Å
88T92.6Very high89.3Confident27 Ų2760.9 Ų60.917%0.16631%0.307CS..Hα-helixtrans-60.9-39.5178.2-61.40000112.4K84 A85 N100 I103 T106K84-T88 VanDerWaalsContact O-CB 3.3Å; K84-T88 WeakPolarHBondContact O-CB 3.38Å; K84-T88 PolarHBondContact O-N 2.93Å; K84-T88 PolarHBondContact O-OG1 3.01Å; A85-T88 PolarHBondContact O-N 3.07Å; T88-N100 WeakPolarHBondContact CG2-ND2 3.29Å; T88-N100 WeakPolarHBondContact O-CB 3.44Å; T88-I103 HydrophobicContact CG2-CG2 4.5Å; T88-T106 HydrophobicContact CG2-CG2 3.82Å; T88-T106 VanDerWaalsContact OG1-CG2 3.26Å; T88-T106 WeakPolarHBondContact OG1-CG2 3.18Å
89I93.4Very high89.2Confident47 Ų4762.6 Ų62.624%0.24132%0.316CS..Hα-helixtrans-67-42.8176.3-66.3162.1000111.6A85 V86 A87 L99 N100 I103A85-I89 VanDerWaalsContact O-CG1 3.3Å; A85-I89 WeakPolarHBondContact O-CG1 3.48Å; A85-I89 PolarHBondContact O-N 2.9Å; V86-I89 PolarHBondContact O-N 2.95Å; A87-I89 VanDerWaalsContact C-N 3.33Å; A87-I89 PolarHBondContact O-N 3.28Å; I89-L99 HydrophobicContact CG2-CB 4.15Å; I89-L99 HydrophobicContact CG2-CD1 4.49Å; I89-L99 HydrophobicContact CG2-CD2 4.32Å; I89-L99 WeakPolarHBondContact O-CA 3.48Å; I89-N100 WeakPolarHBondContact CA-O 3.34Å; I89-N100 PolarHBondContact O-N 2.92Å; I89-I103 HydrophobicContact CD1-CG2 3.9Å; I89-I103 HydrophobicContact CG1-CG2 3.44Å; I89-I103 VanDerWaalsContact CG1-CG2 3.44Å
90L93.9Very high89Confident13 Ų1356.2 Ų56.27%0.06829%0.288CS..Hα-helixtrans-91.8-24-167.8-65.5176.5000114.4L50 L51 F72 V86 A87 S92 K93 L99L50-L90 HydrophobicContact CB-CD1 4.34Å; L51-L90 HydrophobicContact CD2-CD1 4.06Å; F72-L90 HydrophobicContact CE1-CB 3.76Å; F72-L90 HydrophobicContact CZ-CB 4.32Å; V86-L90 HydrophobicContact CG1-CD1 3.59Å; V86-L90 HydrophobicContact CG1-CG 4.35Å; V86-L90 WeakPolarHBondContact O-CB 3.33Å; V86-L90 VanDerWaalsContact O-CG 3.26Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 3.28Å; L90-S92 PolarHBondContact O-N 3.49Å; L90-K93 HydrophobicContact CD2-CD 4.46Å; L90-K93 WeakPolarHBondContact O-CB 3.32Å; L90-K93 PolarHBondContact O-N 2.86Å; L90-L99 HydrophobicContact CD2-CD2 3.96Å
91H87.8Confident88.6Confident55 Ų5561.8 Ų61.826%0.25531%0.31SS..Hα-helixtrans-57.6-45.3-177178.3-122000112.4L76 A87 K93 Q94L76-H91 HydrophobicContact CD1-CB 4.43Å; L76-H91 HydrophobicContact CD2-CB 4.45Å; A87-H91 WeakPolarHBondContact O-CB 3.36Å; A87-H91 PolarHBondContact O-N 3.12Å; H91-K93 PolarHBondContact O-N 3.48Å; H91-K93 VanDerWaalsContact O-N 3.14Å; H91-Q94 PolarHBondContact O-N 3.47Å
92S82.8Confident88.3Confident14 Ų1462.2 Ų62.210%0.09831%0.312CS..Hα-helixtrans-64.9-17.3176.259.20000113.9L90 L96 N97 Y98 N100L90-S92 PolarHBondContact O-N 3.49Å; S92-L96 CarbonylContact O-C 3.59Å; S92-L96 WeakPolarHBondContact O-CA 3.34Å; S92-L96 WeakPolarHBondContact O-CB 3.28Å; S92-L96 PolarHBondContact O-N 3.12Å; S92-N97 PolarHBondContact O-N 3.25Å; S92-Y98 CarbonylContact C-O 3.54Å; S92-Y98 WeakPolarHBondContact CB-O 3.5Å; S92-Y98 PolarHBondContact OG-O 3.29Å; S92-N100 PolarHBondContact OG-N 3.09Å; S92-N100 VanDerWaalsContact OG-N 3.09Å
93K83.7Confident88.1Confident50 Ų5059.3 Ų59.322%0.21730%0.297CS..Hα-helixtrans-67.8-39.8-179.9-161.7-166.9-177.6-169.20111.1S54 N55 L90 H91 N97 Y98 L99S54-K93 WeakPolarHBondContact O-CD 3.47Å; S54-K93 VanDerWaalsContact O-CE 3.3Å; S54-K93 WeakPolarHBondContact O-CE 3.44Å; S54-K93 PolarHBondContact O-NZ 3.27Å; N55-K93 PolarHBondContact OD1-NZ 3.02Å; L90-K93 HydrophobicContact CD2-CD 4.46Å; L90-K93 WeakPolarHBondContact O-CB 3.32Å; L90-K93 PolarHBondContact O-N 2.86Å; H91-K93 PolarHBondContact O-N 3.48Å; H91-K93 VanDerWaalsContact O-N 3.14Å; K93-N97 WeakPolarHBondContact O-CA 3.38Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 VanDerWaalsContact O-N 3.07Å; K93-Y98 WeakPolarHBondContact CA-O 3.33Å; K93-Y98 PolarHBondContact N-O 3.29Å; K93-Y98 VanDerWaalsContact N-O 3.11Å; K93-L99 HydrophobicContact CB-CD2 4.06Å; K93-L99 HydrophobicContact CD-CD2 3.89Å; K93-L99 HydrophobicContact CG-CD2 3.95Å
94Q75.3Confident87.7Confident82 Ų8261.2 Ų61.238%0.38331%0.31SS..Hα-helixtrans-73.2-42.6-178.9-68.1-171.3-28.900111.8F53 I68 H91F53-Q94 PolarHBondContact O-NE2 3.42Å; I68-Q94 VanDerWaalsContact CG2-NE2 3.29Å; H91-Q94 PolarHBondContact O-N 3.47Å
95T74.3Confident87.3Confident99 Ų9963.9 Ų63.961%0.60733%0.333SS*.Hα-helixtrans-83.6-32.6-176.5-34.90000113.9
96L81.4Confident87.1Confident103 Ų10364 Ų6454%0.53933%0.333SS..Hα-helixtrans-131.11.2-167.7-56.7170.5000114.1S92 Y98S92-L96 CarbonylContact O-C 3.59Å; S92-L96 WeakPolarHBondContact O-CA 3.34Å; S92-L96 WeakPolarHBondContact O-CB 3.28Å; S92-L96 PolarHBondContact O-N 3.12Å; L96-Y98 HydrophobicContact CB-CD1 3.57Å; L96-Y98 HydrophobicContact CB-CE1 3.37Å; L96-Y98 HydrophobicContact CD1-CE1 3.53Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.28Å; L96-Y98 HydrophobicContact CG-CE1 4.04Å; L96-Y98 PolarHBondContact O-N 3.07Å
97N84.1Confident86.8Confident143 Ų14365 Ų6577%0.76534%0.338SS*.SBendtrans54.332.4-179.7-158.221.7000115S92 K93S92-N97 PolarHBondContact O-N 3.25Å; K93-N97 WeakPolarHBondContact O-CA 3.38Å; K93-N97 PolarHBondContact O-N 3.08Å; K93-N97 VanDerWaalsContact O-N 3.07Å
98Y86.3Confident86.6Confident128 Ų12871.2 Ų71.250%0.50237%0.367SS..SBendtrans-136.4152.8169.470.8-103.8000111.6S92 K93 L96S92-Y98 CarbonylContact C-O 3.54Å; S92-Y98 WeakPolarHBondContact CB-O 3.5Å; S92-Y98 PolarHBondContact OG-O 3.29Å; K93-Y98 WeakPolarHBondContact CA-O 3.33Å; K93-Y98 PolarHBondContact N-O 3.29Å; K93-Y98 VanDerWaalsContact N-O 3.11Å; L96-Y98 HydrophobicContact CB-CD1 3.57Å; L96-Y98 HydrophobicContact CB-CE1 3.37Å; L96-Y98 HydrophobicContact CD1-CE1 3.53Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.28Å; L96-Y98 HydrophobicContact CG-CE1 4.04Å; L96-Y98 PolarHBondContact O-N 3.07Å
99L91.4Very high86.5Confident63 Ų6372 Ų7233%0.3338%0.376SS..  trans-84.2133.8173.5-58.8-176.1000110.2I89 L90 K93 F101I89-L99 HydrophobicContact CG2-CB 4.15Å; I89-L99 HydrophobicContact CG2-CD1 4.49Å; I89-L99 HydrophobicContact CG2-CD2 4.32Å; I89-L99 WeakPolarHBondContact O-CA 3.48Å; L90-L99 HydrophobicContact CD2-CD2 3.96Å; K93-L99 HydrophobicContact CB-CD2 4.06Å; K93-L99 HydrophobicContact CD-CD2 3.89Å; K93-L99 HydrophobicContact CG-CD2 3.95Å; L99-F101 HydrophobicContact CB-CE1 4.43Å; L99-F101 HydrophobicContact CB-CE2 4.26Å; L99-F101 HydrophobicContact CB-CZ 4.01Å; L99-F101 VanDerWaalsContact O-CD2 3.28Å; L99-F101 WeakPolarHBondContact O-CD2 3.3Å; L99-F101 WeakPolarHBondContact O-CE2 3.34Å
100N89.1Confident86.2Confident51 Ų5173.3 Ų73.327%0.27338%0.38SS..  trans-76.3128.9170.7179.921.9000109.5T88 I89 S92 D102T88-N100 WeakPolarHBondContact CG2-ND2 3.29Å; T88-N100 WeakPolarHBondContact O-CB 3.44Å; I89-N100 WeakPolarHBondContact CA-O 3.34Å; I89-N100 PolarHBondContact O-N 2.92Å; S92-N100 PolarHBondContact OG-N 3.09Å; S92-N100 VanDerWaalsContact OG-N 3.09Å; N100-D102 PolarHBondContact ND2-O 3.01Å; N100-D102 PolarHBondContact OD1-N 3.37Å
101F86Confident86Confident171 Ų17173.6 Ų73.675%0.7539%0.386SS*.  trans-102.1-12178.7-64.3-74.9000113.4L99 I103L99-F101 HydrophobicContact CB-CE1 4.43Å; L99-F101 HydrophobicContact CB-CE2 4.26Å; L99-F101 HydrophobicContact CB-CZ 4.01Å; L99-F101 VanDerWaalsContact O-CD2 3.28Å; L99-F101 WeakPolarHBondContact O-CD2 3.3Å; L99-F101 WeakPolarHBondContact O-CE2 3.34Å; F101-I103 PolarHBondContact O-N 3.16Å
102D86.4Confident86.2Confident86 Ų8675.9 Ų75.946%0.4640%0.395SS..  trans-86.791.9171.3-17113.7000110.8N100 S104N100-D102 PolarHBondContact ND2-O 3.01Å; N100-D102 PolarHBondContact OD1-N 3.37Å; D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 2.91Å; D102-S104 PolarHBondContact OD1-OG 3.39Å
103I89.5Confident86.6Confident30 Ų3079.1 Ų79.115%0.15441%0.412CS..  trans-96.46.3170.362.4172.6000112.7T88 I89 F101 P105 T106 F110T88-I103 HydrophobicContact CG2-CG2 4.5Å; I89-I103 HydrophobicContact CD1-CG2 3.9Å; I89-I103 HydrophobicContact CG1-CG2 3.44Å; I89-I103 VanDerWaalsContact CG1-CG2 3.44Å; F101-I103 PolarHBondContact O-N 3.16Å; I103-P105 VanDerWaalsContact C-CD 3.41Å; I103-P105 VanDerWaalsContact C-N 3.31Å; I103-T106 HydrophobicContact CB-CG2 4.34Å; I103-T106 WeakPolarHBondContact O-CB 3.29Å; I103-T106 PolarHBondContact O-N 3.42Å; I103-T106 PolarHBondContact O-OG1 3.03Å; I103-F110 HydrophobicContact CD1-CD1 4.44Å; I103-F110 HydrophobicContact CD1-CD2 3.8Å; I103-F110 HydrophobicContact CD1-CE2 4.07Å; I103-F110 HydrophobicContact CD1-CG 4.03Å; I103-F110 HydrophobicContact CG1-CB 4.46Å; I103-F110 HydrophobicContact CG1-CD2 4.26Å; I103-F110 HydrophobicContact CG1-CG 4.45Å
104S87.1Confident86.9Confident40 Ų4079.9 Ų79.928%0.2842%0.418SS..G310 helixtrans-55.7-37.4-178.5-42.40000113.5D102 T106D102-S104 WeakPolarHBondContact OD1-CB 3.49Å; D102-S104 PolarHBondContact OD1-N 2.91Å; D102-S104 PolarHBondContact OD1-OG 3.39Å; S104-T106 PolarHBondContact O-N 2.91Å
105P85.8Confident87.6Confident108 Ų10879.9 Ų79.970%0.70142%0.42SS*.G310 helixtrans-67.6-15.1174.9-22.135000114.9I103I103-P105 VanDerWaalsContact C-CD 3.41Å; I103-P105 VanDerWaalsContact C-N 3.31Å
106T88.7Confident88.4Confident8 Ų881.2 Ų81.25%0.04942%0.417CS..G310 helixtrans-86-24.3-172.571.30000113.5N81 T88 I103 S104N81-T106 PolarHBondContact OD1-O 2.63Å; T88-T106 HydrophobicContact CG2-CG2 3.82Å; T88-T106 VanDerWaalsContact OG1-CG2 3.26Å; T88-T106 WeakPolarHBondContact OG1-CG2 3.18Å; I103-T106 HydrophobicContact CB-CG2 4.34Å; I103-T106 WeakPolarHBondContact O-CB 3.29Å; I103-T106 PolarHBondContact O-N 3.42Å; I103-T106 PolarHBondContact O-OG1 3.03Å; S104-T106 PolarHBondContact O-N 2.91Å
107N89.3Confident88.8Confident47 Ų4781 Ų8125%0.25142%0.416SS..  trans-160.4124.3175.5-174.8-24.4000109.6N81 A109 F110 G111N81-N107 HydrophobicContact CB-CB 4.46Å; N107-A109 PolarHBondContact O-N 2.67Å; N107-A109 VanDerWaalsContact O-N 3.09Å; N107-A109 VanDerWaalsContact OD1-CB 3.3Å; N107-A109 WeakPolarHBondContact OD1-CB 3.49Å; N107-A109 PolarHBondContact OD1-N 3.5Å; N107-F110 HydrophobicContact CB-CD2 3.63Å; N107-F110 HydrophobicContact CB-CE2 4.07Å; N107-F110 HydrophobicContact CB-CG 4.34Å; N107-F110 PolarHBondContact O-N 2.82Å; N107-G111 PolarHBondContact O-N 3.35Å
108E90.5Very high89Confident131 Ų13178.6 Ų78.661%0.61240%0.403SS*.Hα-helixtrans-54.5-31178.8-161.4-148.8-16300112.9G111 K112E108-G111 PolarHBondContact O-N 3.43Å; E108-K112 HydrophobicContact CG-CD 4.26Å; E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 WeakPolarHBondContact O-CG 3.08Å; E108-K112 PolarHBondContact O-N 2.9Å; E108-K112 WeakPolarHBondContact OE1-CE 3.02Å; E108-K112 IonicContact OE1-NZ 3.17Å; E108-K112 PolarHBondContact OE1-NZ 2.88Å; E108-K112 WeakPolarHBondContact OE2-CE 3.45Å; E108-K112 IonicContact OE2-NZ 2.79Å; E108-K112 PolarHBondContact OE2-NZ 3.31Å
109A89.2Confident89.2Confident43 Ų4378.8 Ų78.836%0.35541%0.406SS..Hα-helixtrans-68.1-31.8176.100000113.3N107 N113N107-A109 PolarHBondContact O-N 2.67Å; N107-A109 VanDerWaalsContact O-N 3.09Å; N107-A109 VanDerWaalsContact OD1-CB 3.3Å; N107-A109 WeakPolarHBondContact OD1-CB 3.49Å; N107-A109 PolarHBondContact OD1-N 3.5Å; A109-N113 WeakPolarHBondContact O-CB 3.39Å; A109-N113 PolarHBondContact O-N 3.36Å; A109-N113 VanDerWaalsContact O-N 3.1Å; A109-N113 PolarHBondContact O-ND2 3.44Å; A109-N113 VanDerWaalsContact O-ND2 3.16Å
110F88.1Confident89Confident74 Ų7477.9 Ų77.933%0.32541%0.405SS..Hα-helixtrans-69-49.2173.4-70.1-44.3000110.4A85 I103 N107 K112 N113 I114A85-F110 HydrophobicContact CB-CE2 4.11Å; I103-F110 HydrophobicContact CD1-CD1 4.44Å; I103-F110 HydrophobicContact CD1-CD2 3.8Å; I103-F110 HydrophobicContact CD1-CE2 4.07Å; I103-F110 HydrophobicContact CD1-CG 4.03Å; I103-F110 HydrophobicContact CG1-CB 4.46Å; I103-F110 HydrophobicContact CG1-CD2 4.26Å; I103-F110 HydrophobicContact CG1-CG 4.45Å; N107-F110 HydrophobicContact CB-CD2 3.63Å; N107-F110 HydrophobicContact CB-CE2 4.07Å; N107-F110 HydrophobicContact CB-CG 4.34Å; N107-F110 PolarHBondContact O-N 2.82Å; F110-K112 PolarHBondContact O-N 2.9Å; F110-N113 PolarHBondContact O-N 2.86Å; F110-I114 WeakPolarHBondContact O-CG1 3.37Å; F110-I114 PolarHBondContact O-N 3.16Å
111G88.9Confident88.7Confident20 Ų2077.2 Ų77.221%0.20641%0.407CS..Hα-helixtrans-53.9-51.5174.500000112N107 E108 N113 I114 D115N107-G111 PolarHBondContact O-N 3.35Å; E108-G111 PolarHBondContact O-N 3.43Å; G111-N113 PolarHBondContact O-N 3.12Å; G111-I114 PolarHBondContact O-N 3.31Å; G111-D115 WeakPolarHBondContact O-CB 3.45Å; G111-D115 PolarHBondContact O-N 3.07Å
112K92.6Very high88.3Confident102 Ų10273.4 Ų73.444%0.44340%0.397SS..Hα-helixtrans-59-27.1176.1-76.7173.6175.41710114.1E108 F110 K116E108-K112 HydrophobicContact CG-CD 4.26Å; E108-K112 WeakPolarHBondContact O-CB 3.13Å; E108-K112 WeakPolarHBondContact O-CG 3.08Å; E108-K112 PolarHBondContact O-N 2.9Å; E108-K112 WeakPolarHBondContact OE1-CE 3.02Å; E108-K112 IonicContact OE1-NZ 3.17Å; E108-K112 PolarHBondContact OE1-NZ 2.88Å; E108-K112 WeakPolarHBondContact OE2-CE 3.45Å; E108-K112 IonicContact OE2-NZ 2.79Å; E108-K112 PolarHBondContact OE2-NZ 3.31Å; F110-K112 PolarHBondContact O-N 2.9Å; K112-K116 WeakPolarHBondContact O-CD 3.48Å; K112-K116 WeakPolarHBondContact O-CE 3.01Å; K112-K116 VanDerWaalsContact O-CG 3.25Å; K112-K116 WeakPolarHBondContact O-CG 3.41Å; K112-K116 PolarHBondContact O-N 3.42Å
113N90.5Very high87.7Confident82 Ų8275.6 Ų75.644%0.43941%0.409SS..Hα-helixtrans-86.6-37.2178-73.8-20.4000112.4A109 F110 G111 D115 K116 L117A109-N113 WeakPolarHBondContact O-CB 3.39Å; A109-N113 PolarHBondContact O-N 3.36Å; A109-N113 VanDerWaalsContact O-N 3.1Å; A109-N113 PolarHBondContact O-ND2 3.44Å; A109-N113 VanDerWaalsContact O-ND2 3.16Å; F110-N113 PolarHBondContact O-N 2.86Å; G111-N113 PolarHBondContact O-N 3.12Å; N113-D115 VanDerWaalsContact C-N 3.29Å; N113-D115 PolarHBondContact O-N 3.29Å; N113-K116 PolarHBondContact O-N 3.31Å; N113-K116 PolarHBondContact OD1-NZ 2.94Å; N113-L117 WeakPolarHBondContact O-CB 3.49Å; N113-L117 PolarHBondContact O-N 2.79Å
114I89.8Confident86.9Confident67 Ų6781.3 Ų81.334%0.34443%0.429SS..Hα-helixtrans-58.8-45169.3-67.6164.9000109.6F110 G111 K116 L117 L118F110-I114 WeakPolarHBondContact O-CG1 3.37Å; F110-I114 PolarHBondContact O-N 3.16Å; G111-I114 PolarHBondContact O-N 3.31Å; I114-K116 PolarHBondContact O-N 3.38Å; I114-L117 WeakPolarHBondContact O-CB 3.42Å; I114-L117 PolarHBondContact O-N 3.36Å; I114-L117 VanDerWaalsContact O-N 3.12Å; I114-L118 HydrophobicContact CG2-CD1 3.86Å; I114-L118 HydrophobicContact CG2-CG 4.29Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.45Å
115D89.9Confident85.7Confident81 Ų8186.1 Ų86.143%0.43345%0.451SS..Hα-helixtrans-55-46.8175-114.626.8000113.3G111 N113 L117 K119G111-D115 WeakPolarHBondContact O-CB 3.45Å; G111-D115 PolarHBondContact O-N 3.07Å; N113-D115 VanDerWaalsContact C-N 3.29Å; N113-D115 PolarHBondContact O-N 3.29Å; D115-L117 VanDerWaalsContact C-N 3.35Å; D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 VanDerWaalsContact O-CD 3.23Å; D115-K119 WeakPolarHBondContact O-CD 3.41Å; D115-K119 WeakPolarHBondContact O-CG 3.48Å; D115-K119 PolarHBondContact O-N 3.41Å; D115-K119 IonicContact OD2-NZ 2.76Å; D115-K119 PolarHBondContact OD2-NZ 3.26Å
116K92Very high84.5Confident128 Ų12887 Ų8756%0.55746%0.455SS*.Hα-helixtrans-64.2-41.8176.2-70.2164.3-161.7165.20111K112 N113 I114 K119 S120K112-K116 WeakPolarHBondContact O-CD 3.48Å; K112-K116 WeakPolarHBondContact O-CE 3.01Å; K112-K116 VanDerWaalsContact O-CG 3.25Å; K112-K116 WeakPolarHBondContact O-CG 3.41Å; K112-K116 PolarHBondContact O-N 3.42Å; N113-K116 PolarHBondContact O-N 3.31Å; N113-K116 PolarHBondContact OD1-NZ 2.94Å; I114-K116 PolarHBondContact O-N 3.38Å; K116-K119 PolarHBondContact O-N 3.44Å; K116-S120 WeakPolarHBondContact O-CB 3.24Å; K116-S120 PolarHBondContact O-N 2.74Å
117L89.9Confident83.2Confident98 Ų9892.2 Ų92.251%0.51349%0.487SS..Hα-helixtrans-63.3-50-179.4-162.871000110.6N113 I114 D115 K119 S120 A121 W124N113-L117 WeakPolarHBondContact O-CB 3.49Å; N113-L117 PolarHBondContact O-N 2.79Å; I114-L117 WeakPolarHBondContact O-CB 3.42Å; I114-L117 PolarHBondContact O-N 3.36Å; I114-L117 VanDerWaalsContact O-N 3.12Å; D115-L117 VanDerWaalsContact C-N 3.35Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.22Å; L117-S120 CarbonylContact O-C 3.59Å; L117-S120 PolarHBondContact O-N 2.76Å; L117-S120 VanDerWaalsContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 3.42Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.38Å; L117-W124 HydrophobicContact CD1-CH2 3.75Å; L117-W124 HydrophobicContact CD1-CZ2 3.71Å; L117-W124 HydrophobicContact CG-CH2 4Å; L117-W124 HydrophobicContact CG-CZ2 4.25Å
118L88.3Confident81.9Confident93 Ų9396.6 Ų96.649%0.48751%0.51SS..Hα-helixtrans-59.3-41.7176.4-69.7172.5000112.4I114 A121I114-L118 HydrophobicContact CG2-CD1 3.86Å; I114-L118 HydrophobicContact CG2-CG 4.29Å; I114-L118 WeakPolarHBondContact O-CG 3.46Å; I114-L118 PolarHBondContact O-N 3.45Å; L118-A121 PolarHBondContact O-N 3.45Å
119K90.3Very high81Confident132 Ų13293.8 Ų93.857%0.57450%0.502SS*.Hα-helixtrans-61.3-43.7173.4-72.2159.9-167.7157.60111.1D115 K116 L117 T122D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 VanDerWaalsContact O-CD 3.23Å; D115-K119 WeakPolarHBondContact O-CD 3.41Å; D115-K119 WeakPolarHBondContact O-CG 3.48Å; D115-K119 PolarHBondContact O-N 3.41Å; D115-K119 IonicContact OD2-NZ 2.76Å; D115-K119 PolarHBondContact OD2-NZ 3.26Å; K116-K119 PolarHBondContact O-N 3.44Å; L117-K119 VanDerWaalsContact C-N 3.35Å; L117-K119 PolarHBondContact O-N 3.22Å; K119-T122 PolarHBondContact O-OG1 3.22Å
120S87.2Confident80.5Confident44 Ų4495.5 Ų95.531%0.30851%0.51SS..Hα-helixtrans-69.8-33.4178.978.90000114.1K116 L117 T122 N123K116-S120 WeakPolarHBondContact O-CB 3.24Å; K116-S120 PolarHBondContact O-N 2.74Å; L117-S120 CarbonylContact O-C 3.59Å; L117-S120 PolarHBondContact O-N 2.76Å; L117-S120 VanDerWaalsContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 3.42Å; S120-T122 PolarHBondContact O-N 2.86Å; S120-T122 VanDerWaalsContact O-N 3.13Å; S120-N123 PolarHBondContact O-N 2.98Å
121A83.1Confident80.2Confident36 Ų3698.8 Ų98.830%0.29853%0.53SS..Hα-helixtrans-63.3-20.3-175.100000113.7L117 L118 N123 W124L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.38Å; L118-A121 PolarHBondContact O-N 3.45Å; A121-N123 PolarHBondContact O-N 3.01Å; A121-W124 HydrophobicContact CB-CD2 4.05Å; A121-W124 HydrophobicContact CB-CE3 4.14Å; A121-W124 HydrophobicContact CB-CG 4.48Å; A121-W124 HydrophobicContact CB-CZ3 4.43Å; A121-W124 WeakPolarHBondContact O-CB 2.96Å; A121-W124 PolarHBondContact O-N 2.83Å; A121-W124 VanDerWaalsContact O-N 3.1Å
122T76.4Confident79.9Confident91 Ų91104.4 Ų104.456%0.55855%0.554SS**THydrogen-bonded Turntrans-56.4-29.4170.558.60000113.2K119 S120K119-T122 PolarHBondContact O-OG1 3.22Å; S120-T122 PolarHBondContact O-N 2.86Å; S120-T122 VanDerWaalsContact O-N 3.13Å
123N75.7Confident79.5Confident132 Ų13299.9 Ų99.971%0.70654%0.536SS*.THydrogen-bonded Turntrans-94.6-1.9-180-58.1-68.1000113.5S120 A121 N125S120-N123 PolarHBondContact O-N 2.98Å; A121-N123 PolarHBondContact O-N 3.01Å; N123-N125 PolarHBondContact O-N 2.92Å
124W71.6Confident79.1Confident150 Ų150103.6 Ų103.657%0.56855%0.551SS**  trans-79.8110.4-179.5-62.63.5000109.6L117 A121L117-W124 HydrophobicContact CD1-CH2 3.75Å; L117-W124 HydrophobicContact CD1-CZ2 3.71Å; L117-W124 HydrophobicContact CG-CH2 4Å; L117-W124 HydrophobicContact CG-CZ2 4.25Å; A121-W124 HydrophobicContact CB-CD2 4.05Å; A121-W124 HydrophobicContact CB-CE3 4.14Å; A121-W124 HydrophobicContact CB-CG 4.48Å; A121-W124 HydrophobicContact CB-CZ3 4.43Å; A121-W124 WeakPolarHBondContact O-CB 2.96Å; A121-W124 PolarHBondContact O-N 2.83Å; A121-W124 VanDerWaalsContact O-N 3.1Å
125N61.1Low78.9Confident141 Ų141109.6 Ų109.675%0.75457%0.57SS**  trans-74.1131.9161.9-74.3-54.2000108.6N123 V127N123-N125 PolarHBondContact O-N 2.92Å; N125-V127 HydrophobicContact CB-CG2 4.32Å; N125-V127 PolarHBondContact O-N 3.09Å
126T61.6Low78.7Confident128 Ų128108.9 Ų108.979%0.78557%0.566SS**  trans-69.779.6170.228.20000110
127V60.2Low78.3Confident117 Ų117105.1 Ų105.171%0.70956%0.563SS**  trans-76.3-43171.5177.40000109.9N125N125-V127 HydrophobicContact CB-CG2 4.32Å; N125-V127 PolarHBondContact O-N 3.09Å
128D62.3Low77.9Confident139 Ų139109.7 Ų109.774%0.74357%0.574SS**SBendtrans-91.2107.8-179.1-54.3-45.9000110.1
129T71.8Confident77.8Confident72 Ų72111.4 Ų111.444%0.44258%0.584SS.*  trans-68.8132165.4-29.50000107.9A133 L141 L145T129-A133 HydrophobicContact CG2-CB 3.38Å; T129-L141 HydrophobicContact CG2-CD1 3.86Å; T129-L145 HydrophobicContact CG2-CD1 4.18Å; T129-L145 HydrophobicContact CG2-CD2 4.37Å
130P79.7Confident77.5Confident79 Ų79109 Ų10951%0.51358%0.579SS.*  trans-56144.2-178.3-27.134.9000112.1L132 A133P130-L132 PolarHBondContact O-N 3Å; P130-A133 WeakPolarHBondContact O-CA 3.19Å; P130-A133 WeakPolarHBondContact O-CB 3.42Å; P130-A133 PolarHBondContact O-N 3.29Å
131L81.6Confident77.2Confident143 Ų143108.4 Ų108.475%0.74957%0.573SS**G310 helixtrans-51.9-32.8-173.7-64.7172.5000114.6A133L131-A133 PolarHBondContact O-N 3.1Å
132L82.6Confident76.9Confident138 Ų138110.3 Ų110.372%0.72358%0.578SS**G310 helixtrans-68.8-19.6176.8-63178.3000113.6P130 E134 Y135P130-L132 PolarHBondContact O-N 3Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.05Å; L132-Y135 PolarHBondContact O-N 3.22Å; L132-Y135 VanDerWaalsContact O-N 3.17Å
133A83.5Confident77Confident6 Ų6113.9 Ų113.95%0.0559%0.586CS.*G310 helixtrans-66.9-27.3-179.500000113.7T129 P130 L131 Y135 L136 L141T129-A133 HydrophobicContact CG2-CB 3.38Å; P130-A133 WeakPolarHBondContact O-CA 3.19Å; P130-A133 WeakPolarHBondContact O-CB 3.42Å; P130-A133 PolarHBondContact O-N 3.29Å; L131-A133 PolarHBondContact O-N 3.1Å; A133-Y135 PolarHBondContact O-N 2.78Å; A133-L136 PolarHBondContact O-N 3.13Å; A133-L141 HydrophobicContact CB-CD1 3.66Å
134E81.8Confident76.8Confident161 Ų161112 Ų11275%0.75258%0.575SS**G310 helixtrans-61.1-22.7174-61.1-172.9-174.100112.2L132L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.05Å
135Y86.2Confident76.8Confident192 Ų192108.6 Ų108.675%0.75357%0.568SS**G310 helixtrans-97.8-3.9178.1-52.5-88.8000113.1L132 A133L132-Y135 PolarHBondContact O-N 3.22Å; L132-Y135 VanDerWaalsContact O-N 3.17Å; A133-Y135 PolarHBondContact O-N 2.78Å
136L85.8Confident76.7Confident67 Ų67105 Ų10535%0.35155%0.554SS.*SBendtrans-88.9134.3179.1-64.1-178.6000111.4A133 V140 L141 L144A133-L136 PolarHBondContact O-N 3.13Å; L136-V140 HydrophobicContact CD1-CG1 4.31Å; L136-V140 HydrophobicContact CD2-CG1 4.25Å; L136-L141 HydrophobicContact CB-CB 4.36Å; L136-L144 HydrophobicContact CD1-CD2 3.94Å
137G84Confident76.3Confident48 Ų48105 Ų10550%0.49555%0.548SS..  trans-63.7143.7169.100000111N139 V140 L141G137-N139 VanDerWaalsContact C-N 3.31Å; G137-N139 PolarHBondContact O-N 2.67Å; G137-N139 VanDerWaalsContact O-N 3.14Å; G137-V140 WeakPolarHBondContact O-CA 3.13Å; G137-V140 WeakPolarHBondContact O-CB 3.36Å; G137-V140 PolarHBondContact O-N 3.42Å; G137-L141 PolarHBondContact O-N 3.26Å; G137-L141 VanDerWaalsContact O-N 3.08Å
138R82.1Confident75.9Confident195 Ų195107.4 Ų107.474%0.73655%0.549SS*.Hα-helixtrans-43.6-51.9-176.1-83.7-174.2-75.5-98.71.1113V140 L141 D142R138-V140 PolarHBondContact O-N 3.16Å; R138-L141 CarbonylContact O-C 3.6Å; R138-L141 WeakPolarHBondContact O-CA 3.26Å; R138-L141 PolarHBondContact O-N 2.72Å; R138-D142 WeakPolarHBondContact O-CB 3.43Å; R138-D142 PolarHBondContact O-N 3.49Å
139N84.8Confident74.8Confident129 Ų129104.4 Ų104.469%0.6955%0.551SS**Hα-helixtrans-55.4-24.7-179.7-5032.4000114.7G137 K143G137-N139 VanDerWaalsContact C-N 3.31Å; G137-N139 PolarHBondContact O-N 2.67Å; G137-N139 VanDerWaalsContact O-N 3.14Å; N139-K143 WeakPolarHBondContact O-CD 3.46Å; N139-K143 VanDerWaalsContact O-CG 3.24Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å
140V85Confident73.4Confident80 Ų80104.7 Ų104.749%0.48556%0.556SS.*Hα-helixtrans-89.2-42.3174.1-175.70000110.6L136 G137 R138 K143 L144L136-V140 HydrophobicContact CD1-CG1 4.31Å; L136-V140 HydrophobicContact CD2-CG1 4.25Å; G137-V140 WeakPolarHBondContact O-CA 3.13Å; G137-V140 WeakPolarHBondContact O-CB 3.36Å; G137-V140 PolarHBondContact O-N 3.42Å; R138-V140 PolarHBondContact O-N 3.16Å; V140-K143 PolarHBondContact O-N 2.94Å; V140-L144 WeakPolarHBondContact O-CB 3.18Å; V140-L144 PolarHBondContact O-N 2.87Å
141L80.3Confident71.8Confident33 Ų33109.1 Ų109.117%0.17358%0.575CS.*Hα-helixtrans-62.8-44.1176.7-176.155.7000112T129 A133 L136 G137 R138 K143 L144 L145T129-L141 HydrophobicContact CG2-CD1 3.86Å; A133-L141 HydrophobicContact CB-CD1 3.66Å; L136-L141 HydrophobicContact CB-CB 4.36Å; G137-L141 PolarHBondContact O-N 3.26Å; G137-L141 VanDerWaalsContact O-N 3.08Å; R138-L141 CarbonylContact O-C 3.6Å; R138-L141 WeakPolarHBondContact O-CA 3.26Å; R138-L141 PolarHBondContact O-N 2.72Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 2.98Å; L141-L144 WeakPolarHBondContact O-CB 3.46Å; L141-L144 PolarHBondContact O-N 2.91Å; L141-L144 VanDerWaalsContact O-N 3.08Å; L141-L145 HydrophobicContact CD1-CD1 3.7Å; L141-L145 HydrophobicContact CD1-CG 3.86Å; L141-L145 HydrophobicContact CD2-CD1 4.5Å; L141-L145 HydrophobicContact CG-CD1 3.83Å; L141-L145 HydrophobicContact CG-CG 4.33Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.38Å
142D76.5Confident70.3Confident76 Ų76110.3 Ų110.341%0.40658%0.575SS.*Hα-helixtrans-61.9-40.2175.6-60-36.4000110.4R138 L144 S146R138-D142 WeakPolarHBondContact O-CB 3.43Å; R138-D142 PolarHBondContact O-N 3.49Å; D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 PolarHBondContact O-N 3.15Å; D142-S146 WeakPolarHBondContact O-CA 3.44Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 3.43Å; D142-S146 PolarHBondContact O-OG 3.19Å
143K79.6Confident68.5Low166 Ų166109.3 Ų109.372%0.72258%0.576SS**Hα-helixtrans-65.3-34.2171.8-76.9175.4-174.2-65.30113.2N139 V140 L141N139-K143 WeakPolarHBondContact O-CD 3.46Å; N139-K143 VanDerWaalsContact O-CG 3.24Å; N139-K143 WeakPolarHBondContact O-CG 3.38Å; V140-K143 PolarHBondContact O-N 2.94Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 2.98Å
144L71.7Confident66.6Low92 Ų92114.7 Ų114.748%0.48261%0.611SS.*Hα-helixtrans-77-37-179.3-17464.2000112.4L136 V140 L141 D142L136-L144 HydrophobicContact CD1-CD2 3.94Å; V140-L144 WeakPolarHBondContact O-CB 3.18Å; V140-L144 PolarHBondContact O-N 2.87Å; L141-L144 WeakPolarHBondContact O-CB 3.46Å; L141-L144 PolarHBondContact O-N 2.91Å; L141-L144 VanDerWaalsContact O-N 3.08Å; D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 PolarHBondContact O-N 3.15Å
145L69.7Low64.7Low79 Ų79111 Ų11141%0.41461%0.607SS.*Hα-helixtrans-89.3-33.2-179.1-62.5178.1000113.1T129 L141 L147T129-L145 HydrophobicContact CG2-CD1 4.18Å; T129-L145 HydrophobicContact CG2-CD2 4.37Å; L141-L145 HydrophobicContact CD1-CD1 3.7Å; L141-L145 HydrophobicContact CD1-CG 3.86Å; L141-L145 HydrophobicContact CD2-CD1 4.5Å; L141-L145 HydrophobicContact CG-CD1 3.83Å; L141-L145 HydrophobicContact CG-CG 4.33Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 3.38Å; L145-L147 PolarHBondContact O-N 3.46Å
146S59Low62.4Low66 Ų66106.9 Ų106.946%0.46261%0.607SS.*THydrogen-bonded Turntrans-79.719.7-177.5-46.10000114.1D142 K148 G149D142-S146 WeakPolarHBondContact O-CA 3.44Å; D142-S146 WeakPolarHBondContact O-CB 3.4Å; D142-S146 PolarHBondContact O-N 3.43Å; D142-S146 PolarHBondContact O-OG 3.19Å; S146-K148 CarbonylContact O-C 3.5Å; S146-K148 VanDerWaalsContact O-C 3.28Å; S146-K148 PolarHBondContact O-N 3.45Å; S146-K148 VanDerWaalsContact O-N 3.16Å; S146-G149 PolarHBondContact O-N 3.33Å
147L53.3Low60.4Low126 Ų126110.2 Ų110.266%0.6662%0.624SS**THydrogen-bonded Turntrans-61.2-9.7161.2-94.4130.8000112.8L145L145-L147 PolarHBondContact O-N 3.46Å
148K51.9Low58.4Low168 Ų168111.7 Ų111.773%0.7363%0.627SS**SBendtrans-100.2102.8149.7-73.8-176.4177.31760109.2S146 S150S146-K148 CarbonylContact O-C 3.5Å; S146-K148 VanDerWaalsContact O-C 3.28Å; S146-K148 PolarHBondContact O-N 3.45Å; S146-K148 VanDerWaalsContact O-N 3.16Å; K148-S150 PolarHBondContact O-N 2.99Å
149G39.7Very low57Low76 Ų76112.8 Ų112.878%0.78464%0.637SS**  trans-61.7121.7-177.400000112.9S146S146-G149 PolarHBondContact O-N 3.33Å
150S42.7Very low55.2Low78 Ų78109.6 Ų109.655%0.54562%0.624SS.*  trans-159.2107.8170.4-171.80000109.1K148 K152K148-S150 PolarHBondContact O-N 2.99Å; S150-K152 PolarHBondContact O-N 2.83Å
151D46.5Very low54.4Low172 Ų172110 Ų11092%0.9264%0.644SS**  trans-7552178-53.6-74.2000112.1
152K49Very low54.4Low169 Ų169114.8 Ų114.874%0.73566%0.664SS**  trans-125.9113.9173.8-72.8-176.3176.5178.40108S150S150-K152 PolarHBondContact O-N 2.83Å
153P44.6Very low54.5Low116 Ų116120.1 Ų120.175%0.75369%0.687SS**PPolyproline II helixtrans-57144.7172.325.2-33.6000109.5A155P153-A155 PolarHBondContact O-N 2.93Å; P153-A155 VanDerWaalsContact O-N 3.12Å
154P45.1Very low54.2Low120 Ų120119.4 Ų119.478%0.77968%0.679SS**PPolyproline II helixtrans-55.8121.8-174.421.4-33000110.4S156P154-S156 PolarHBondContact O-N 3.23Å; P154-S156 VanDerWaalsContact O-N 3.12Å
155A41Very low54.5Low82 Ų82127 Ų12768%0.67870%0.702SS**PPolyproline II helixtrans-47117.1-164.300000112.4P153 L157 S158P153-A155 PolarHBondContact O-N 2.93Å; P153-A155 VanDerWaalsContact O-N 3.12Å; A155-L157 PolarHBondContact O-N 3.03Å; A155-S158 PolarHBondContact O-N 3.17Å; A155-S158 PolarHBondContact O-OG 2.91Å
156S38.6Very low55.1Low107 Ų107126.3 Ų126.375%0.74871%0.713SS**THydrogen-bonded Turntrans-5993.9-159.143.30000113.3P154 S158P154-S156 PolarHBondContact O-N 3.23Å; P154-S156 VanDerWaalsContact O-N 3.12Å; S156-S158 PolarHBondContact N-OG 3.08Å; S156-S158 PolarHBondContact O-N 2.75Å; S156-S158 PolarHBondContact O-OG 3.26Å; S156-S158 VanDerWaalsContact O-OG 3.05Å
157L44.3Very low56.3Low137 Ų137127.8 Ų127.872%0.71771%0.711SS**THydrogen-bonded Turntrans53.613.4-179.2-76155.9000115A155 K159 C160A155-L157 PolarHBondContact O-N 3.03Å; L157-K159 PolarHBondContact O-N 2.95Å; L157-C160 PolarHBondContact O-N 2.73Å; L157-C160 VanDerWaalsContact O-N 3.12Å
158S41.7Very low57.9Low78 Ų78125.5 Ų125.555%0.54570%0.699SS.*THydrogen-bonded Turntrans-77.10.2-164.7-23.60000114.3A155 S156A155-S158 PolarHBondContact O-N 3.17Å; A155-S158 PolarHBondContact O-OG 2.91Å; S156-S158 PolarHBondContact N-OG 3.08Å; S156-S158 PolarHBondContact O-N 2.75Å; S156-S158 PolarHBondContact O-OG 3.26Å; S156-S158 VanDerWaalsContact O-OG 3.05Å
159K51.6Low59.6Low219 Ų219125.7 Ų125.795%0.95270%0.703SS**THydrogen-bonded Turntrans-82.1-9.7169-81.7-174.1173-179.60113.5L157 G161L157-K159 PolarHBondContact O-N 2.95Å; K159-G161 PolarHBondContact O-N 2.85Å
160C47.9Very low61.9Low61 Ų61125.7 Ų125.741%0.41269%0.691SS.*SBendtrans-72.5119160.1-790000108.7L157 F162L157-C160 PolarHBondContact O-N 2.73Å; L157-C160 VanDerWaalsContact O-N 3.12Å; C160-F162 HydrophobicContact CB-CD1 4.07Å; C160-F162 HydrophobicContact CB-CE1 3.72Å; C160-F162 HydrophobicContact CB-CE2 4.26Å; C160-F162 HydrophobicContact CB-CG 4.48Å; C160-F162 HydrophobicContact CB-CZ 3.82Å; C160-F162 PolarHBondContact O-N 3.14Å
161G67.2Low64.1Low89 Ų89125.5 Ų125.592%0.91868%0.681SS**SBendtrans-70.226.5178.800000115.1K159K159-G161 PolarHBondContact O-N 2.85Å
162F80Confident66.2Low134 Ų134122.2 Ų122.259%0.58866%0.66SS**SBendtrans-146.8141.8-178.458.7-94.6000110.8C160 R164C160-F162 HydrophobicContact CB-CD1 4.07Å; C160-F162 HydrophobicContact CB-CE1 3.72Å; C160-F162 HydrophobicContact CB-CE2 4.26Å; C160-F162 HydrophobicContact CB-CG 4.48Å; C160-F162 HydrophobicContact CB-CZ 3.82Å; C160-F162 PolarHBondContact O-N 3.14Å; F162-R164 HydrophobicContact CE2-CG 4.28Å
163Q79.6Confident68.3Low187 Ų187120 Ų12087%0.87466%0.655SS**  trans-95.1124.6173.4-166.4175.618.400109.8R165Q163-R165 PolarHBondContact O-N 2.92Å
164R72.6Confident70.7Confident152 Ų152121 Ų12157%0.57465%0.648SS**  trans-66.1130.3177.9-70.9-172.8-80.7141.9-5.3110.8F162F162-R164 HydrophobicContact CE2-CG 4.28Å
165R77.9Confident73Confident252 Ų252120.1 Ų120.195%0.95163%0.634SS**  trans-101.8112.9169.8-66.4-170-179.2-146.91.8109.4Q163Q163-R165 PolarHBondContact O-N 2.92Å
166G82.2Confident75.5Confident63 Ų63118.1 Ų118.165%0.64961%0.614SS**SBendtrans86.7169.1178.900000115.3
167K84.1Confident78.2Confident98 Ų98120 Ų12043%0.42661%0.606SS.*  trans-65.5148.9168.6-73.5-169.9164.3178.10110.3E171 H172 E175K167-E171 WeakPolarHBondContact CA-OE2 3.25Å; K167-E171 HydrophobicContact CB-CB 4.33Å; K167-E171 WeakPolarHBondContact CB-OE2 3.23Å; K167-E171 HydrophobicContact CD-CG 4.24Å; K167-E171 WeakPolarHBondContact CD-OE1 3.49Å; K167-E171 WeakPolarHBondContact CE-OE1 3.38Å; K167-E171 HydrophobicContact CG-CG 4.46Å; K167-E171 WeakPolarHBondContact CG-OE1 3.41Å; K167-H172 VanDerWaalsContact CB-CE1 3.48Å; K167-H172 WeakPolarHBondContact CB-CE1 3.32Å; K167-E175 VanDerWaalsContact NZ-CD 3.26Å; K167-E175 IonicContact NZ-OE1 3.42Å; K167-E175 PolarHBondContact NZ-OE1 3.31Å; K167-E175 IonicContact NZ-OE2 3.02Å; K167-E175 PolarHBondContact NZ-OE2 3.39Å
168L87Confident80.6Confident77 Ų77117.9 Ų117.940%0.40360%0.595SS.*  trans-75.9157.4172.4-81.375.5000111.2S170 E171 H172L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 WeakPolarHBondContact CB-OG 3.18Å; L168-S170 PolarHBondContact O-N 3.43Å; L168-E171 HydrophobicContact CB-CB 4.48Å; L168-E171 WeakPolarHBondContact O-CA 3.4Å; L168-E171 WeakPolarHBondContact O-CB 3.37Å; L168-E171 PolarHBondContact O-N 3.08Å; L168-H172 PolarHBondContact O-N 2.85Å; L168-H172 PolarHBondContact O-ND1 2.84Å
169E87.9Confident83.1Confident173 Ų173119.9 Ų119.981%0.80860%0.596SS**Hα-helixtrans-57.9-38.8170.3-174.3175.5-170.500112E171 H172 L173E169-E171 PolarHBondContact O-N 3.41Å; E169-H172 PolarHBondContact O-N 3.05Å; E169-H172 VanDerWaalsContact O-N 3.14Å; E169-L173 PolarHBondContact O-N 3.42Å
170S89.1Confident85.1Confident75 Ų75115.6 Ų115.652%0.52458%0.577SS.*Hα-helixtrans-61.5-24.3173.555.10000113.9L168 K174L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 WeakPolarHBondContact CB-OG 3.18Å; L168-S170 PolarHBondContact O-N 3.43Å; S170-K174 WeakPolarHBondContact O-CB 3.37Å; S170-K174 PolarHBondContact O-N 3.49Å
171E88.9Confident87.2Confident75 Ų75116.5 Ų116.535%0.3558%0.577SS.*Hα-helixtrans-75.8-43174.4-160.4179.3155.100111K167 L168 E169 K174 E175K167-E171 WeakPolarHBondContact CA-OE2 3.25Å; K167-E171 HydrophobicContact CB-CB 4.33Å; K167-E171 WeakPolarHBondContact CB-OE2 3.23Å; K167-E171 HydrophobicContact CD-CG 4.24Å; K167-E171 WeakPolarHBondContact CD-OE1 3.49Å; K167-E171 WeakPolarHBondContact CE-OE1 3.38Å; K167-E171 HydrophobicContact CG-CG 4.46Å; K167-E171 WeakPolarHBondContact CG-OE1 3.41Å; L168-E171 HydrophobicContact CB-CB 4.48Å; L168-E171 WeakPolarHBondContact O-CA 3.4Å; L168-E171 WeakPolarHBondContact O-CB 3.37Å; L168-E171 PolarHBondContact O-N 3.08Å; E169-E171 PolarHBondContact O-N 3.41Å; E171-K174 WeakPolarHBondContact O-CB 3.42Å; E171-K174 PolarHBondContact O-N 3.08Å; E171-E175 WeakPolarHBondContact O-CB 3.29Å; E171-E175 PolarHBondContact O-N 2.84Å
172H90.3Very high88.4Confident102 Ų102119.5 Ų119.547%0.47257%0.565SS.*Hα-helixtrans-65.1-37.7172.7-59.590.7000112K167 L168 E169 E175 S176K167-H172 VanDerWaalsContact CB-CE1 3.48Å; K167-H172 WeakPolarHBondContact CB-CE1 3.32Å; L168-H172 PolarHBondContact O-N 2.85Å; L168-H172 PolarHBondContact O-ND1 2.84Å; E169-H172 PolarHBondContact O-N 3.05Å; E169-H172 VanDerWaalsContact O-N 3.14Å; H172-E175 PolarHBondContact O-N 3.45Å; H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.44Å
173L93.8Very high89Confident122 Ų122117.1 Ų117.164%0.63956%0.559SS**Hα-helixtrans-63.5-42.4174.2-177.961.6000111.5E169 Y177E169-L173 PolarHBondContact O-N 3.42Å; L173-Y177 WeakPolarHBondContact O-CB 3.08Å; L173-Y177 PolarHBondContact O-N 3.34Å
174K94.3Very high89.4Confident137 Ų137110.9 Ų110.960%0.59653%0.53SS*.Hα-helixtrans-62.4-43.1172.6179-173.3174.6-171.60111.8S170 E171 Y177 L178S170-K174 WeakPolarHBondContact O-CB 3.37Å; S170-K174 PolarHBondContact O-N 3.49Å; E171-K174 WeakPolarHBondContact O-CB 3.42Å; E171-K174 PolarHBondContact O-N 3.08Å; K174-Y177 PolarHBondContact O-N 3.32Å; K174-L178 HydrophobicContact CG-CD1 4.09Å; K174-L178 WeakPolarHBondContact O-CB 3.31Å; K174-L178 VanDerWaalsContact O-CG 3.31Å; K174-L178 WeakPolarHBondContact O-CG 3.27Å; K174-L178 PolarHBondContact O-N 2.94Å
175E93.7Very high90Very high103 Ų103107.1 Ų107.148%0.48153%0.526SS..Hα-helixtrans-63.5-47.4179.2-161.3156.4-149.300110.9K167 E171 H172 Y177 L178 E179K167-E175 VanDerWaalsContact NZ-CD 3.26Å; K167-E175 IonicContact NZ-OE1 3.42Å; K167-E175 PolarHBondContact NZ-OE1 3.31Å; K167-E175 IonicContact NZ-OE2 3.02Å; K167-E175 PolarHBondContact NZ-OE2 3.39Å; E171-E175 WeakPolarHBondContact O-CB 3.29Å; E171-E175 PolarHBondContact O-N 2.84Å; H172-E175 PolarHBondContact O-N 3.45Å; E175-Y177 PolarHBondContact O-N 3.32Å; E175-L178 PolarHBondContact O-N 3.29Å; E175-E179 WeakPolarHBondContact O-CB 3.32Å; E175-E179 PolarHBondContact O-N 3.39Å
176S92.9Very high90.4Very high39 Ų39100.7 Ų100.727%0.27351%0.507SS..Hα-helixtrans-63.9-35.3173.4-175.50000113.3H172 K180H172-S176 WeakPolarHBondContact O-CB 3.26Å; H172-S176 PolarHBondContact O-N 3.44Å; S176-K180 WeakPolarHBondContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CD 3.4Å; S176-K180 VanDerWaalsContact O-CG 3.26Å; S176-K180 WeakPolarHBondContact O-CG 3.17Å; S176-K180 PolarHBondContact O-N 2.88Å; S176-K180 WeakPolarHBondContact OG-CE 3.34Å; S176-K180 PolarHBondContact OG-NZ 2.72Å; S176-K180 VanDerWaalsContact OG-NZ 3.16Å
177Y95.1Very high90.3Very high146 Ų146104.9 Ų104.957%0.57350%0.503SS*.Hα-helixtrans-66.5-43.7174.7179.2-95.8000111.7L173 K174 E175 K180 L181L173-Y177 WeakPolarHBondContact O-CB 3.08Å; L173-Y177 PolarHBondContact O-N 3.34Å; K174-Y177 PolarHBondContact O-N 3.32Å; E175-Y177 PolarHBondContact O-N 3.32Å; Y177-K180 PolarHBondContact O-N 2.94Å; Y177-L181 HydrophobicContact CE1-CD1 4.34Å; Y177-L181 WeakPolarHBondContact O-CB 3.42Å; Y177-L181 PolarHBondContact O-N 3.07Å
178L94.8Very high89.9Confident93 Ų93109.3 Ų109.349%0.48752%0.517SS..Hα-helixtrans-66.1-36.5177-72.1170.6000112.3K174 E175 L181 K182K174-L178 HydrophobicContact CG-CD1 4.09Å; K174-L178 WeakPolarHBondContact O-CB 3.31Å; K174-L178 VanDerWaalsContact O-CG 3.31Å; K174-L178 WeakPolarHBondContact O-CG 3.27Å; K174-L178 PolarHBondContact O-N 2.94Å; E175-L178 PolarHBondContact O-N 3.29Å; L178-L181 PolarHBondContact O-N 3.03Å; L178-K182 WeakPolarHBondContact O-CB 3.5Å; L178-K182 PolarHBondContact O-N 3.44Å
179E93.6Very high88.8Confident121 Ų121114.5 Ų114.557%0.56553%0.531SS*.Hα-helixtrans-63.6-50.9172.9-174.7169.6-12200111.5E175 L181 K182 D183E175-E179 WeakPolarHBondContact O-CB 3.32Å; E175-E179 PolarHBondContact O-N 3.39Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 2.95Å; E179-K182 WeakPolarHBondContact O-CB 3.48Å; E179-K182 PolarHBondContact O-N 3.29Å; E179-K182 VanDerWaalsContact O-N 3.09Å; E179-D183 PolarHBondContact O-N 2.91Å
180K94.6Very high87.2Confident129 Ų129111.6 Ų111.656%0.56153%0.525SS*.Hα-helixtrans-57.2-39.1173.9-72.6163.6-177.5158.30112.5S176 Y177 D183 E184S176-K180 WeakPolarHBondContact O-CB 3.22Å; S176-K180 WeakPolarHBondContact O-CD 3.4Å; S176-K180 VanDerWaalsContact O-CG 3.26Å; S176-K180 WeakPolarHBondContact O-CG 3.17Å; S176-K180 PolarHBondContact O-N 2.88Å; S176-K180 WeakPolarHBondContact OG-CE 3.34Å; S176-K180 PolarHBondContact OG-NZ 2.72Å; S176-K180 VanDerWaalsContact OG-NZ 3.16Å; Y177-K180 PolarHBondContact O-N 2.94Å; K180-D183 PolarHBondContact O-N 2.79Å; K180-E184 VanDerWaalsContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CB 3.49Å; K180-E184 PolarHBondContact O-N 2.85Å
181L91.7Very high85.3Confident79 Ų79114.7 Ų114.741%0.41453%0.531SS..Hα-helixtrans-67.3-40.5176.7-161.391.8000111.6Y177 L178 E179 E184 C185Y177-L181 HydrophobicContact CE1-CD1 4.34Å; Y177-L181 WeakPolarHBondContact O-CB 3.42Å; Y177-L181 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.03Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 2.95Å; L181-E184 PolarHBondContact O-N 3.49Å; L181-C185 WeakPolarHBondContact O-CB 3.49Å; L181-C185 PolarHBondContact O-N 2.88Å; L181-C185 PolarHBondContact O-SG 2.82Å
182K92.9Very high83.5Confident152 Ų152116.6 Ų116.666%0.66155%0.547SS*.Hα-helixtrans-62.7-43.9175.1178.8-172172.5-164.80111.1L178 E179 C185 Q186L178-K182 WeakPolarHBondContact O-CB 3.5Å; L178-K182 PolarHBondContact O-N 3.44Å; E179-K182 WeakPolarHBondContact O-CB 3.48Å; E179-K182 PolarHBondContact O-N 3.29Å; E179-K182 VanDerWaalsContact O-N 3.09Å; K182-C185 PolarHBondContact O-N 2.99Å; K182-Q186 WeakPolarHBondContact O-CB 3.5Å; K182-Q186 PolarHBondContact O-N 2.74Å
183D91.2Very high81.7Confident84 Ų84116.3 Ų116.345%0.44956%0.555SS.*Hα-helixtrans-67.2-38.1175.9-72.1-9.9000112.5E179 K180 Q186 R187E179-D183 PolarHBondContact O-N 2.91Å; K180-D183 PolarHBondContact O-N 2.79Å; D183-Q186 PolarHBondContact O-N 2.7Å; D183-R187 WeakPolarHBondContact O-CB 3.39Å; D183-R187 WeakPolarHBondContact O-CG 3.08Å; D183-R187 PolarHBondContact O-N 3.02Å; D183-R187 PolarHBondContact O-NE 2.89Å
184E88Confident79.8Confident57 Ų57115.9 Ų115.927%0.26655%0.552SS.*Hα-helixtrans-65.9-43.7174.6-173.365.5-156.200111K180 L181 Q186 R187 R188K180-E184 VanDerWaalsContact O-CB 3.31Å; K180-E184 WeakPolarHBondContact O-CB 3.49Å; K180-E184 PolarHBondContact O-N 2.85Å; L181-E184 PolarHBondContact O-N 3.49Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 2.84Å; E184-R187 PolarHBondContact O-N 2.66Å; E184-R187 IonicContact OE2-CZ 2.63Å; E184-R187 IonicContact OE2-NH1 2.91Å; E184-R187 PolarHBondContact OE2-NH1 3Å; E184-R187 IonicContact OE2-NH2 3.07Å; E184-R187 PolarHBondContact OE2-NH2 2.98Å; E184-R188 WeakPolarHBondContact O-CB 3.3Å; E184-R188 VanDerWaalsContact O-CG 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.33Å; E184-R188 PolarHBondContact O-N 3.34Å; E184-R188 IonicContact OE1-CZ 2.66Å; E184-R188 IonicContact OE1-NE 3.17Å; E184-R188 PolarHBondContact OE1-NE 2.77Å; E184-R188 IonicContact OE1-NH2 3.62Å; E184-R188 PolarHBondContact OE1-NH2 3.03Å
185C86.4Confident77.3Confident73 Ų73115.6 Ų115.649%0.49356%0.564SS.*Hα-helixtrans-59.4-41.8171.5-77.20000111.8L181 K182 R188 R189L181-C185 WeakPolarHBondContact O-CB 3.49Å; L181-C185 PolarHBondContact O-N 2.88Å; L181-C185 PolarHBondContact O-SG 2.82Å; K182-C185 PolarHBondContact O-N 2.99Å; C185-R188 PolarHBondContact O-N 2.98Å; C185-R189 VanDerWaalsContact O-CG 3.28Å; C185-R189 WeakPolarHBondContact O-CG 3.34Å; C185-R189 PolarHBondContact O-N 3.41Å
186Q85.4Confident75.5Confident117 Ų117114.4 Ų114.455%0.54758%0.579SS.*Hα-helixtrans-71.6-37.7178.7-168.763.214.900112.3K182 D183 E184 R188 R189K182-Q186 WeakPolarHBondContact O-CB 3.5Å; K182-Q186 PolarHBondContact O-N 2.74Å; D183-Q186 PolarHBondContact O-N 2.7Å; E184-Q186 VanDerWaalsContact C-N 3.33Å; E184-Q186 PolarHBondContact O-N 2.84Å; Q186-R188 VanDerWaalsContact C-N 3.34Å; Q186-R189 WeakPolarHBondContact O-CB 3.36Å; Q186-R189 PolarHBondContact O-N 3.17Å
187R81Confident73.3Confident151 Ų151120.8 Ų120.857%0.5760%0.598SS**Hα-helixtrans-66.6-32.6172.1-77.7-180-76.8111.45.7112.7D183 E184 V190D183-R187 WeakPolarHBondContact O-CB 3.39Å; D183-R187 WeakPolarHBondContact O-CG 3.08Å; D183-R187 PolarHBondContact O-N 3.02Å; D183-R187 PolarHBondContact O-NE 2.89Å; E184-R187 PolarHBondContact O-N 2.66Å; E184-R187 IonicContact OE2-CZ 2.63Å; E184-R187 IonicContact OE2-NH1 2.91Å; E184-R187 PolarHBondContact OE2-NH1 3Å; E184-R187 IonicContact OE2-NH2 3.07Å; E184-R187 PolarHBondContact OE2-NH2 2.98Å; R187-V190 WeakPolarHBondContact O-CG2 3.42Å
188R74.4Confident70.9Confident190 Ų190119 Ų11972%0.71761%0.607SS**Hα-helixtrans-79.2-14.6172.8-70-178.9-168.4-143.90.7113.9E184 C185 Q186 V190E184-R188 WeakPolarHBondContact O-CB 3.3Å; E184-R188 VanDerWaalsContact O-CG 3.32Å; E184-R188 WeakPolarHBondContact O-CG 3.33Å; E184-R188 PolarHBondContact O-N 3.34Å; E184-R188 IonicContact OE1-CZ 2.66Å; E184-R188 IonicContact OE1-NE 3.17Å; E184-R188 PolarHBondContact OE1-NE 2.77Å; E184-R188 IonicContact OE1-NH2 3.62Å; E184-R188 PolarHBondContact OE1-NH2 3.03Å; C185-R188 PolarHBondContact O-N 2.98Å; Q186-R188 VanDerWaalsContact C-N 3.34Å; R188-V190 PolarHBondContact O-N 2.86Å
189R65Low68.8Low186 Ų186122.6 Ų122.670%0.70262%0.618SS**  trans-76.750.2163.4-69.4169.185.8171.511.4110.7C185 Q186 H191C185-R189 VanDerWaalsContact O-CG 3.28Å; C185-R189 WeakPolarHBondContact O-CG 3.34Å; C185-R189 PolarHBondContact O-N 3.41Å; Q186-R189 WeakPolarHBondContact O-CB 3.36Å; Q186-R189 PolarHBondContact O-N 3.17Å; R189-H191 PolarHBondContact O-N 3.29Å
190V53.1Low66.4Low113 Ų113121.6 Ų121.669%0.68563%0.631SS**  trans-56.7111.3159179.70000105.9R187 R188 V192R187-V190 WeakPolarHBondContact O-CG2 3.42Å; R188-V190 PolarHBondContact O-N 2.86Å; V190-V192 VanDerWaalsContact C-N 3.26Å; V190-V192 PolarHBondContact O-N 2.96Å
191H51Low64.2Low140 Ų140125.9 Ų125.965%0.64864%0.644SS**  trans-71.285.1-178.1179-74.4000108.7R189 P193R189-H191 PolarHBondContact O-N 3.29Å; H191-P193 WeakPolarHBondContact O-CD 3.25Å
192V49.8Very low62.1Low114 Ų114130.1 Ų130.169%0.69166%0.661SS**  trans-51.6113.2163.8179.20000106.1V190 I194V190-V192 VanDerWaalsContact C-N 3.26Å; V190-V192 PolarHBondContact O-N 2.96Å; V192-I194 PolarHBondContact O-N 3.49Å
193P53Low59.7Low97 Ų97129.7 Ų129.763%0.6367%0.666SS**  trans-67.8106.4-175.5-18.632.4000108.2H191 P195H191-P193 WeakPolarHBondContact O-CD 3.25Å; P193-P195 WeakPolarHBondContact O-CD 3.39Å; P193-P195 VanDerWaalsContact O-N 3.13Å
194I53.1Low57.5Low113 Ų113132.5 Ų132.558%0.57968%0.677SS**  trans-65.7110.7174.5-59.9176.5000106.9V192 G196 R197V192-I194 PolarHBondContact O-N 3.49Å; I194-G196 PolarHBondContact O-N 3.39Å; I194-R197 PolarHBondContact O-N 3.12Å
195P42.8Very low55.8Low130 Ų130135.7 Ų135.784%0.84470%0.7SS**THydrogen-bonded Turntrans-63.2126.7-179.9-18.934.2000108.5P193P193-P195 WeakPolarHBondContact O-CD 3.39Å; P193-P195 VanDerWaalsContact O-N 3.13Å
196G55.4Low53.7Low79 Ų79140.8 Ų140.881%0.81472%0.717SS**THydrogen-bonded Turntrans100.85.3-176.500000116.6I194I194-G196 PolarHBondContact O-N 3.39Å
197R48Very low51.8Low173 Ų173142.5 Ų142.565%0.65373%0.73SS**  trans-115.273.8165.4-75.3-172175.6-109.6-0.2112.1I194 F199I194-R197 PolarHBondContact O-N 3.12Å; R197-F199 PolarHBondContact O-N 3.4Å; R197-F199 VanDerWaalsContact O-N 3.09Å
198S44.5Very low49.9Very low109 Ų109140.2 Ų140.276%0.76274%0.737SS**  trans-66102.2172.538.90000111.7A200S198-A200 PolarHBondContact O-N 2.92Å
199F48.9Very low48.3Very low167 Ų167137.5 Ų137.573%0.73274%0.741SS**  trans-78.395155.6-74.8-86000108R197 R201R197-F199 PolarHBondContact O-N 3.4Å; R197-F199 VanDerWaalsContact O-N 3.09Å; F199-R201 PolarHBondContact O-N 2.87Å; F199-R201 VanDerWaalsContact O-N 3.12Å
200A43.8Very low46.8Very low101 Ų101132.9 Ų132.984%0.83574%0.743SS**  trans-61.8112.5163.600000108S198S198-A200 PolarHBondContact O-N 2.92Å
201R49.5Very low46.3Very low219 Ų219134.3 Ų134.383%0.82675%0.751SS**  trans-93.7131.1156.9-77.7-173.3168.2-165.3-5.8107F199F199-R201 PolarHBondContact O-N 2.87Å; F199-R201 VanDerWaalsContact O-N 3.12Å
202Q46.5Very low45.6Very low168 Ų168136 Ų13679%0.78576%0.759SS**  trans-110.493.2173.9178.6176.1-13.900105.4E204Q202-E204 HydrophobicContact CG-CB 4.16Å
203D42.2Very low45.1Very low143 Ų143137 Ų13777%0.76577%0.766SS**  trans-96.579171.7-73.4-52.5000106.9
204E45.1Very low44.2Very low142 Ų142137.7 Ų137.766%0.66477%0.773SS**  trans-157.5130.9-176.2-75.5-80.7-163.300107Q202Q202-E204 HydrophobicContact CG-CB 4.16Å
205T51.8Low43.4Very low124 Ų124139.8 Ų139.876%0.76179%0.785SS**  cis-157.1171.6-14-104.50000107
206E43.8Very low42.9Very low181 Ų181137.8 Ų137.885%0.84677%0.774SS**  trans-73.1162.1-169.9-59.4-173.913500116.3
207D44.4Very low42.2Very low153 Ų153140.6 Ų140.682%0.81878%0.776SS**  trans77.5141.5154.9-87.2-13.7000125.2
208S41.1Very low41.5Very low102 Ų102137.6 Ų137.671%0.71378%0.782SS**  trans82.3107.5148-68.30000123.9
209V41.2Very low41.2Very low133 Ų133141.3 Ų141.381%0.80678%0.784SS**  58.689.6129.5-166.10000120.2
210A33.8Very low40.5Very low89 Ų89139.5 Ų139.574%0.73679%0.792SS**  57.1166.2118.200000123.8
211V43Very low40.4Very low144 Ų144144.6 Ų144.687%0.87379%0.79SS**  trans91.7139.8172-170.30000116.3
212E34.8Very low39.6Very low174 Ų174145.2 Ų145.281%0.81379%0.792SS**  trans-68.7155.7-174.5-49.9175.4142.300111.5
213V40.9Very low39.2Very low136 Ų136146.6 Ų146.682%0.82480%0.796SS**  -166153.181.9149.60000110.4
214S34.4Very low39.1Very low112 Ų112144.8 Ų144.878%0.78379%0.794SS**  trans-61.4138.3174.6-50.30000113.8
215D36Very low38.9Very low156 Ų156144.5 Ų144.583%0.83480%0.802SS**  -151.8172126.5-140.6-33.5000112
216S32.7Very low38.4Very low88 Ų88146.3 Ų146.362%0.61580%0.8SS**  trans-94.8142.9-166.359.10000113.5
217T39.4Very low38.2Very low139 Ų139143 Ų14385%0.85379%0.794SS**  178.4146.8121.728.80000111.8
218S33.5Very low38Very low110 Ų110147.3 Ų147.377%0.76980%0.799SS**  trans-102.8118.3-166.5-59.40000113.7
219F38.2Very low38Very low186 Ų186150.2 Ų150.282%0.81681%0.805SS**  trans-140.466.5163.8-85.1-63.9000114.8R221F219-R221 PolarHBondContact O-N 2.77Å
220S34.4Very low37.7Very low129 Ų129148.7 Ų148.790%0.90280%0.8SS**  trans-68.5113.3166.6-177.90000111.2
221R40.9Very low37.8Very low208 Ų208148 Ų14879%0.78580%0.802SS**  trans-116.181.1-176.5-161.7178.7-68-148.52.5113.7F219F219-R221 PolarHBondContact O-N 2.77Å
222R34.1Very low37.5Very low232 Ų232150 Ų15088%0.87580%0.802SS**  trans49.5109.5145.3-52177.5-170.2170.92.4118.2
223K37.2Very low37.6Very low197 Ų197147 Ų14786%0.85780%0.8SS**  trans-122.6141.4147.2-91.6178.2175.5171.80109.5
224S40.6Very low37.4Very low105 Ų105145.8 Ų145.873%0.73480%0.797SS**PPolyproline II helixtrans-80.7134.3-169.549.30000113.2
225T41Very low37.6Very low136 Ų136147.6 Ų147.683%0.83480%0.798SS**PPolyproline II helixtrans-103.9119.6169.7-64.60000108.5
226F40.7Very low37.8Very low162 Ų162147.8 Ų147.871%0.71180%0.799SS**PPolyproline II helixtrans-73.4144.2169.8-84.2-98.4000109.9R228F226-R228 PolarHBondContact O-N 3.23Å
227P41Very low38.2Very low112 Ų112152.2 Ų152.273%0.72782%0.815SS**PPolyproline II helixtrans-68.6127.8-170.526.7-34.6000112.1I229P227-I229 PolarHBondContact O-N 3.39Å
228R39.3Very low38.3Very low243 Ų243153.5 Ų153.592%0.91782%0.817SS**  trans-77112.6159.1-70.3-176.8-178.2172.41.4108F226 S230F226-R228 PolarHBondContact O-N 3.23Å; R228-S230 PolarHBondContact O-N 3.13Å
229I40.7Very low38.5Very low164 Ų164152.8 Ų152.884%0.84181%0.812SS**  trans-73.8113.9165.2-64176.3000107.5P227 G231P227-I229 PolarHBondContact O-N 3.39Å; I229-G231 PolarHBondContact O-N 3.12Å
230S35.2Very low38.5Very low100 Ų100152.6 Ų152.670%0.69981%0.81SS**  trans-83.494.8176.254.10000110.6R228 Q232R228-S230 PolarHBondContact O-N 3.13Å; S230-Q232 PolarHBondContact O-N 3.31Å
231G35Very low38.6Very low75 Ų75157.8 Ų157.877%0.77381%0.81SS**  trans-71.9111.5163.100000109.6I229 S233I229-G231 PolarHBondContact O-N 3.12Å; G231-S233 PolarHBondContact O-N 2.93Å
232Q37.7Very low38.2Very low187 Ų187152.2 Ų152.287%0.87480%0.803SS**  trans-73124.7179.4-67.3175.1-6.200110.3S230S230-Q232 PolarHBondContact O-N 3.31Å
233S36.9Very low38.3Very low110 Ų110148.1 Ų148.177%0.76980%0.798SS**  trans-96.4109.7163.4-165.10000107.5G231 D235G231-S233 PolarHBondContact O-N 2.93Å; S233-D235 PolarHBondContact O-N 3.25Å
234S37.2Very low38.3Very low110 Ų110143.8 Ų143.877%0.76979%0.788SS**  trans-91.593.2179.5168.60000110.2
235D38.1Very low38Very low151 Ų151149.7 Ų149.781%0.80779%0.794SS**  trans-146.363.8169.1-85.4-48.1000109.9S233S233-D235 PolarHBondContact O-N 3.25Å
236D39.9Very low37.8Very low159 Ų159147.5 Ų147.585%0.8579%0.79SS**  trans-130.285.3173.4-99.8-47.8000110.2
237L40.7Very low37.5Very low181 Ų181151.7 Ų151.795%0.94880%0.801SS**  trans-128.362.1168.8-81.6-179.7000110.6
238D41.5Very low37.4Very low167 Ų167150.5 Ų150.589%0.89380%0.801SS**  trans-121.8115.7161.2-139.3-28.4000109.5
239S37.6Very low37.1Very low95 Ų95144.8 Ų144.866%0.66479%0.788SS**  trans-149.6135.7-170.4-161.30000112.2
240K38.7Very low37.2Very low181 Ų181145 Ų14579%0.78779%0.789SS**  trans76.384.6170.6-50.7170.9-172171.90116.3
241R35.8Very low37.2Very low239 Ų239146 Ų14690%0.90279%0.787SS**  169.9157.597.2-87.3155-175.8-87.11.2110.9
242S33Very low37.3Very low91 Ų91151.7 Ų151.764%0.63679%0.79SS**  cis179.6168.7-22.6-171.40000107.9
243L37.4Very low37.1Very low146 Ų146149.1 Ų149.176%0.76479%0.787SS**  trans86.198.3173.2-53.1166.7000113.9
244T36.2Very low36.9Very low105 Ų105147.7 Ų147.764%0.64479%0.79SS**  69.9139.977.262.50000112.9
245W34.8Very low36.7Very low230 Ų230147.8 Ų147.887%0.87179%0.791SS**  cis-137.4139.637.8-71.170.6000111.8
246A36.2Very low36.5Very low89 Ų89147.7 Ų147.774%0.73679%0.79SS**  53.6134.594.500000115.1
247R34.5Very low36.2Very low251 Ų251144.8 Ų144.895%0.94778%0.782SS**  cis-130.6175.519.7-81.9171.2167.6169.4-4.9110.2
248A38.4Very low36Very low87 Ų87145.3 Ų145.372%0.71978%0.78SS**  cis-145.2-177.1-7.900000107
249N34.6Very low35.7Very low123 Ų123144.9 Ų144.966%0.65878%0.778SS**  cis64.9128.338-100.1-16.2000114.8N251N249-N251 PolarHBondContact OD1-ND2 3.36Å
250I42.5Very low35.7Very low168 Ų168151.6 Ų151.686%0.86279%0.788SS**  cis-125.315640.7-70.6160.9000114
251N35.2Very low35.8Very low121 Ų121148.4 Ų148.465%0.64779%0.786SS**  trans-103.6158.6-175.6-50.9-64.1000115N249N249-N251 PolarHBondContact OD1-ND2 3.36Å
252K36.6Very low35.8Very low195 Ų195144.5 Ų144.585%0.84878%0.782SS**  trans172.4111.3130.3-93.1166.4179.2-174.40109.6
253T34Very low35.8Very low132 Ų132145.2 Ų145.281%0.8179%0.787SS**  50.111184.965.80000112.4
254G31.2Very low35.8Very low80 Ų80144.5 Ų144.583%0.82579%0.788SS**  130.6161.258.500000106.7
255S33.2Very low35.7Very low113 Ų113146.7 Ų146.779%0.7980%0.796SS**  cis-156.11755.457.90000111.9
256N33.7Very low35.9Very low148 Ų148142.1 Ų142.179%0.79179%0.789SS**  trans-14.7160.7147.4-59.83.4000118.5
257S35.3Very low36Very low98 Ų98147.1 Ų147.169%0.68579%0.789SS**  cis170.7152.1-1858.50000109.1
258E36.2Very low36.3Very low193 Ų193141.4 Ų141.490%0.90278%0.776SS**  trans-168.6175.9145-116.7174.2156.900115.5
259N35.8Very low36.1Very low157 Ų157142.5 Ų142.584%0.8478%0.778SS**  trans-123.8159.8-167.4-62.7-79.7000113.3
260R36.6Very low36.3Very low237 Ų237141.5 Ų141.589%0.89478%0.78SS**  165.3143.9112.8-169.5169.4-175.5-158.70.3113.3
261P40Very low36Very low114 Ų114144.3 Ų144.374%0.7478%0.78SS**  trans-118.5169.7-179.342.1-33.4000116.2
262I37.3Very low36.1Very low157 Ų157144.2 Ų144.281%0.80579%0.789SS**  trans-143.6124.2165.7-55.4-178.3000105.7
263S31.8Very low36.5Very low106 Ų106140.9 Ų140.974%0.74179%0.787SS**  55.9143.486.7-126.80000114.6
264T38.2Very low36.5Very low130 Ų130139.3 Ų139.380%0.79879%0.788SS**  cis-140-175.320.4480000113.6
265N34.3Very low36.7Very low152 Ų152144.3 Ų144.381%0.81379%0.792SS**  trans-90.7157.5178.3-62.2-53.7000114.6
266D39.3Very low37Very low134 Ų134143.6 Ų143.672%0.71779%0.793SS**  trans172.7158141.9-99.7-0.9000108.8
267R37.2Very low37.2Very low194 Ų194140.3 Ų140.373%0.73279%0.794SS**  cis-164.8152.3-14.1-119169.5-170.1-149.5-4.6111.6
268I42Very low37.6Very low131 Ų131142.7 Ų142.767%0.67280%0.804SS**  trans65121.4142.8-68.7163.8000121.6
269S33.5Very low37.7Very low109 Ų109141.8 Ų141.876%0.76280%0.797SS**  trans39.2151.9134.8-43.30000122.4
270S38.4Very low38.2Very low102 Ų102144.3 Ų144.371%0.71380%0.8SS**  cis-174.3161.341.462.40000116.1
271R37Very low38.4Very low228 Ų228141 Ų14186%0.8680%0.795SS**  trans53.6107.2142.8-71.5175.7173.9-144.6-1.8123.6
272S35.8Very low38.5Very low118 Ų118141.3 Ų141.383%0.82580%0.8SS**  64.1159.8109.8-59.10000123.9
273P45.1Very low38.7Very low125 Ų125137.1 Ų137.181%0.81280%0.795SS**  trans-123.8170.3-156.443.4-31000117.3
274A35Very low39.9Very low100 Ų100139.6 Ų139.683%0.82680%0.798SS**  trans-160.3142.7155.700000115.7
275M34.9Very low40.9Very low184 Ų184142.6 Ų142.691%0.90680%0.8SS**  trans-4.3136.5154.6-61.9-82.1-83.800121.7
276A38.8Very low42Very low99 Ų99142.8 Ų142.882%0.81880%0.8SS**  166.7133109.300000115.5
277G38.4Very low42.6Very low78 Ų78142.8 Ų142.880%0.80480%0.8SS**  trans73.7158.4164.300000117.2
278V44.1Very low43.4Very low148 Ų148141.3 Ų141.390%0.89780%0.801SS**  cis-141.9149.1-8.7175.70000108.6
279K38Very low43.9Very low174 Ų174142.9 Ų142.976%0.75780%0.803SS**  trans-66.4140.1-178.3-64.5175.7179.2174.60113.7
280K46.6Very low45.1Very low210 Ų210145.1 Ų145.191%0.91381%0.807SS**  trans-134.4148.6139.8-75.2-167.3176.5-179.50109.1
281H41.1Very low45.9Very low169 Ų169148.4 Ų148.478%0.78281%0.811SS**  trans-90.5135.1-165.7-70.4-109.7000112.3
282S41Very low46.7Very low120 Ų120143 Ų14384%0.83980%0.799SS**  trans-88.8110.5166.7-172.50000109.3
283G43Very low47.5Very low68 Ų68142.3 Ų142.370%0.70179%0.791SS**  trans-88.7114.5174.300000110.6K285G283-K285 PolarHBondContact O-N 2.94Å
284I55.8Low48Very low158 Ų158139.9 Ų139.981%0.8178%0.781SS**  trans-71114.8171.7-58.1174.1000107.6L286I284-L286 PolarHBondContact O-N 3.09Å
285K59.3Low48.7Very low194 Ų194144.7 Ų144.784%0.84378%0.784SS**  trans-69.6112.5167.6-70.7-172.3176.2-173.10108.4G283 L287G283-K285 PolarHBondContact O-N 2.94Å; K285-L287 PolarHBondContact O-N 3.44Å
286L57.4Low50.5Low155 Ų155138 Ų13881%0.81276%0.762SS**PPolyproline II helixtrans-62.9127160-76.2160.4000107.4I284I284-L286 PolarHBondContact O-N 3.09Å
287L52.2Low51.9Low135 Ų135138.8 Ų138.871%0.70776%0.758SS**PPolyproline II helixtrans-74.6140.1166.6-84.9156000108.4K285K285-L287 PolarHBondContact O-N 3.44Å
288E54.3Low53.5Low163 Ų163143.3 Ų143.376%0.76276%0.756SS**PPolyproline II helixtrans-68.2138.5-179.1-152148-138.500109.5D290 E291E288-D290 PolarHBondContact O-N 3.35Å; E288-E291 PolarHBondContact O-N 3.47Å
289F51.4Low54.8Low163 Ų163137.4 Ų137.472%0.71572%0.723SS**G310 helixtrans-69-11.3-161.8-83.3-89.6000114.7L292F289-L292 HydrophobicContact CD1-CD1 3.96Å
290D59.9Low56.6Low157 Ų157137.2 Ų137.284%0.8472%0.722SS**G310 helixtrans-85.4-11.9-176.1-61.2-54.3000114.6E288E288-D290 PolarHBondContact O-N 3.35Å
291E55.2Low58.2Low171 Ų171133.8 Ų133.880%0.79971%0.709SS**G310 helixtrans-95.68.1175.7-79-156.2134.700114.6E288E288-E291 PolarHBondContact O-N 3.47Å
292L53.4Low60.1Low115 Ų115131 Ų13160%0.60270%0.7SS**SBendtrans-68.2131.7179.9-73.3171.6000111.9F289 A294F289-L292 HydrophobicContact CD1-CD1 3.96Å; L292-A294 PolarHBondContact O-N 2.8Å; L292-A294 VanDerWaalsContact O-N 3.16Å
293P53.7Low61.9Low103 Ų103135 Ų13567%0.66970%0.696SS**PPolyproline II helixtrans-64.7121.1-175.926-34.3000110.5F295P293-F295 PolarHBondContact O-N 3.49Å
294A54.4Low63.9Low73 Ų73137.7 Ų137.760%0.60369%0.689SS**PPolyproline II helixtrans-48.6130.1-175.100000112.4L292 A299L292-A294 PolarHBondContact O-N 2.8Å; L292-A294 VanDerWaalsContact O-N 3.16Å; A294-A299 HydrophobicContact CB-CB 4.48Å; A294-A299 WeakPolarHBondContact O-CB 3.48Å
295F49.4Very low65.1Low202 Ų202135.9 Ų135.989%0.88668%0.677SS**  trans-111.4152.5174.4-109.3-104.7000110.3P293P293-F295 PolarHBondContact O-N 3.49Å
296G72.2Confident66.3Low42 Ų42133 Ų13343%0.43367%0.665SS.*SBendtrans92.2-157.5178.100000115.1K298 A299 K300G296-K298 PolarHBondContact O-N 3.18Å; G296-A299 VanDerWaalsContact O-CB 3.28Å; G296-A299 WeakPolarHBondContact O-CB 3.47Å; G296-A299 PolarHBondContact O-N 2.99Å; G296-A299 VanDerWaalsContact O-N 3.09Å; G296-K300 PolarHBondContact O-N 3.07Å
297P70.1Confident67.6Low116 Ų116130.5 Ų130.575%0.75365%0.648SS**Hα-helixtrans-58.1-44.4-168-28.736.5000115.2A299 K300 Q301P297-A299 VanDerWaalsContact C-N 3.26Å; P297-A299 PolarHBondContact O-N 3.38Å; P297-K300 WeakPolarHBondContact O-CB 3.23Å; P297-K300 PolarHBondContact O-N 3.09Å; P297-K300 VanDerWaalsContact O-N 3.07Å; P297-Q301 PolarHBondContact O-N 2.79Å
298K71.3Confident69.2Low173 Ų173131.5 Ų131.575%0.75264%0.643SS**Hα-helixtrans-58.2-37176.3-75.7-168.7174.5-176.10112.3G296 K300 Q301 L302G296-K298 PolarHBondContact O-N 3.18Å; K298-K300 VanDerWaalsContact C-N 3.34Å; K298-K300 PolarHBondContact O-N 3.24Å; K298-Q301 PolarHBondContact O-N 2.74Å; K298-L302 WeakPolarHBondContact O-CB 3.39Å; K298-L302 PolarHBondContact O-N 3.13Å
299A71.8Confident70.7Confident25 Ų25128.1 Ų128.121%0.20763%0.627CS.*Hα-helixtrans-65.8-36.6176.900000112.7A294 G296 P297 R303A294-A299 HydrophobicContact CB-CB 4.48Å; A294-A299 WeakPolarHBondContact O-CB 3.48Å; G296-A299 VanDerWaalsContact O-CB 3.28Å; G296-A299 WeakPolarHBondContact O-CB 3.47Å; G296-A299 PolarHBondContact O-N 2.99Å; G296-A299 VanDerWaalsContact O-N 3.09Å; P297-A299 VanDerWaalsContact C-N 3.26Å; P297-A299 PolarHBondContact O-N 3.38Å; A299-R303 WeakPolarHBondContact O-CB 3.49Å; A299-R303 WeakPolarHBondContact O-CG 3.23Å; A299-R303 PolarHBondContact O-N 3.28Å
300K76.2Confident72.4Confident170 Ų170124.1 Ų124.174%0.73962%0.616SS**Hα-helixtrans-69.1-36.9175-166.9178.1-178.5-178.10111.3G296 P297 K298 K304G296-K300 PolarHBondContact O-N 3.07Å; P297-K300 WeakPolarHBondContact O-CB 3.23Å; P297-K300 PolarHBondContact O-N 3.09Å; P297-K300 VanDerWaalsContact O-N 3.07Å; K298-K300 VanDerWaalsContact C-N 3.34Å; K298-K300 PolarHBondContact O-N 3.24Å; K300-K304 WeakPolarHBondContact O-CB 3.4Å; K300-K304 PolarHBondContact O-N 3.44Å; K300-K304 VanDerWaalsContact O-N 3.08Å
301Q80.2Confident73.8Confident137 Ų137122.6 Ų122.664%0.6460%0.602SS**Hα-helixtrans-66-51.1174-174.1168.5-4.600111.6P297 K298 R303 K304 E305P297-Q301 PolarHBondContact O-N 2.79Å; K298-Q301 PolarHBondContact O-N 2.74Å; Q301-R303 VanDerWaalsContact C-N 3.33Å; Q301-R303 PolarHBondContact O-N 3.44Å; Q301-K304 CarbonylContact O-C 3.57Å; Q301-K304 WeakPolarHBondContact O-CA 3.27Å; Q301-K304 WeakPolarHBondContact O-CB 3.34Å; Q301-K304 PolarHBondContact O-N 2.83Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 2.84Å
302L79.2Confident75.3Confident112 Ų112120.8 Ų120.859%0.58660%0.595SS**Hα-helixtrans-63.5-35.3179.8-165.5152.9000112.2K298 E305 K306K298-L302 WeakPolarHBondContact O-CB 3.39Å; K298-L302 PolarHBondContact O-N 3.13Å; L302-E305 PolarHBondContact O-N 2.78Å; L302-K306 WeakPolarHBondContact O-CB 3.23Å; L302-K306 PolarHBondContact O-N 3.06Å
303R78.8Confident77Confident202 Ų202121.2 Ų121.276%0.76259%0.592SS**Hα-helixtrans-63.2-45.6168.4-81.7-173.2174.8-174.80.1112.6A299 Q301 E305 K306 E307A299-R303 WeakPolarHBondContact O-CB 3.49Å; A299-R303 WeakPolarHBondContact O-CG 3.23Å; A299-R303 PolarHBondContact O-N 3.28Å; Q301-R303 VanDerWaalsContact C-N 3.33Å; Q301-R303 PolarHBondContact O-N 3.44Å; R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 PolarHBondContact O-N 2.95Å; R303-K306 PolarHBondContact O-N 3.14Å; R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 PolarHBondContact O-N 3.13Å
304K85.3Confident78.8Confident126 Ų126121.5 Ų121.555%0.54859%0.588SS.*Hα-helixtrans-64.5-31.8178.6-172.2177-179.2-179.40112.1K300 Q301 R308K300-K304 WeakPolarHBondContact O-CB 3.4Å; K300-K304 PolarHBondContact O-N 3.44Å; K300-K304 VanDerWaalsContact O-N 3.08Å; Q301-K304 CarbonylContact O-C 3.57Å; Q301-K304 WeakPolarHBondContact O-CA 3.27Å; Q301-K304 WeakPolarHBondContact O-CB 3.34Å; Q301-K304 PolarHBondContact O-N 2.83Å; K304-R308 WeakPolarHBondContact O-CG 3.39Å; K304-R308 PolarHBondContact O-N 3.15Å
305E82.5Confident80.5Confident119 Ų119125.4 Ų125.456%0.55659%0.591SS**Hα-helixtrans-71.3-50.5174.9-174.9161.2-140.900112Q301 L302 R303 E307 R308 E309Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 2.84Å; L302-E305 PolarHBondContact O-N 2.78Å; R303-E305 VanDerWaalsContact C-N 3.26Å; R303-E305 PolarHBondContact O-N 2.95Å; E305-E307 PolarHBondContact O-N 2.78Å; E305-R308 WeakPolarHBondContact O-CA 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.1Å; E305-R308 PolarHBondContact O-N 3.06Å; E305-E309 PolarHBondContact O-N 3.28Å
306K84.1Confident82.4Confident135 Ų135121.9 Ų121.959%0.58758%0.577SS**Hα-helixtrans-60.7-31174.7-166.4164-173.1164.60112.8L302 R303 T310L302-K306 WeakPolarHBondContact O-CB 3.23Å; L302-K306 PolarHBondContact O-N 3.06Å; R303-K306 PolarHBondContact O-N 3.14Å; K306-T310 WeakPolarHBondContact O-CB 3.28Å; K306-T310 WeakPolarHBondContact O-CG2 3.36Å; K306-T310 PolarHBondContact O-N 2.61Å; K306-T310 VanDerWaalsContact O-N 3.09Å; K306-T310 PolarHBondContact O-OG1 2.98Å
307E84.5Confident83.2Confident101 Ų101123.8 Ų123.847%0.47258%0.575SS.*Hα-helixtrans-70.1-35171.5-159.4-165.3136.300112.8R303 E305 T310 K311R303-E307 WeakPolarHBondContact O-CB 3.46Å; R303-E307 PolarHBondContact O-N 3.13Å; E305-E307 PolarHBondContact O-N 2.78Å; E307-T310 WeakPolarHBondContact CA-OG1 3.4Å; E307-T310 PolarHBondContact O-OG1 3.34Å; E307-K311 HydrophobicContact CG-CD 4.43Å; E307-K311 VanDerWaalsContact O-CB 3.31Å; E307-K311 WeakPolarHBondContact O-CB 3.38Å; E307-K311 VanDerWaalsContact O-CG 3.29Å; E307-K311 WeakPolarHBondContact O-CG 3.41Å; E307-K311 PolarHBondContact O-N 3.44Å; E307-K311 VanDerWaalsContact O-N 3.09Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 2.66Å; E307-K311 PolarHBondContact OE1-NZ 2.88Å
308R86.3Confident84.2Confident156 Ų156125.9 Ų125.959%0.58957%0.572SS**Hα-helixtrans-68.6-45.6172.3-74.8-172.9-173.5119.6-20.9111.8K304 E305 T310 K311 M312K304-R308 WeakPolarHBondContact O-CG 3.39Å; K304-R308 PolarHBondContact O-N 3.15Å; E305-R308 WeakPolarHBondContact O-CA 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.1Å; E305-R308 PolarHBondContact O-N 3.06Å; R308-T310 PolarHBondContact O-N 3.29Å; R308-K311 PolarHBondContact O-N 3.45Å; R308-M312 WeakPolarHBondContact O-CB 3.41Å; R308-M312 PolarHBondContact O-N 3.3Å
309E85.6Confident85Confident93 Ų93122.5 Ų122.544%0.43556%0.559SS.*Hα-helixtrans-60.9-46.7180-164.7-144.7146.200111.2E305 K311 M312 K313E305-E309 PolarHBondContact O-N 3.28Å; E309-K311 PolarHBondContact O-N 3.01Å; E309-M312 WeakPolarHBondContact O-CB 3.33Å; E309-M312 PolarHBondContact O-N 3.09Å; E309-M312 VanDerWaalsContact O-N 3.16Å; E309-K313 PolarHBondContact O-N 3.16Å; E309-K313 WeakPolarHBondContact OE1-CE 3.35Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.16Å
310T87.1Confident85.9Confident78 Ų78127 Ų12748%0.47958%0.576SS.*Hα-helixtrans-65.5-37.1176.947.90000112.7K306 E307 R308 L314K306-T310 WeakPolarHBondContact O-CB 3.28Å; K306-T310 WeakPolarHBondContact O-CG2 3.36Å; K306-T310 PolarHBondContact O-N 2.61Å; K306-T310 VanDerWaalsContact O-N 3.09Å; K306-T310 PolarHBondContact O-OG1 2.98Å; E307-T310 WeakPolarHBondContact CA-OG1 3.4Å; E307-T310 PolarHBondContact O-OG1 3.34Å; R308-T310 PolarHBondContact O-N 3.29Å; T310-L314 VanDerWaalsContact O-CB 3.32Å; T310-L314 WeakPolarHBondContact O-CB 3.23Å; T310-L314 PolarHBondContact O-N 3.1Å
311K88.7Confident86.5Confident125 Ų125125.3 Ų125.354%0.54357%0.565SS.*Hα-helixtrans-65.4-35.7170.8-80.5172170.1170.80112.9E307 R308 E309 K315E307-K311 HydrophobicContact CG-CD 4.43Å; E307-K311 VanDerWaalsContact O-CB 3.31Å; E307-K311 WeakPolarHBondContact O-CB 3.38Å; E307-K311 VanDerWaalsContact O-CG 3.29Å; E307-K311 WeakPolarHBondContact O-CG 3.41Å; E307-K311 PolarHBondContact O-N 3.44Å; E307-K311 VanDerWaalsContact O-N 3.09Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 2.66Å; E307-K311 PolarHBondContact OE1-NZ 2.88Å; R308-K311 PolarHBondContact O-N 3.45Å; E309-K311 PolarHBondContact O-N 3.01Å; K311-K315 WeakPolarHBondContact O-CB 3.38Å; K311-K315 PolarHBondContact O-N 2.65Å
312M87.8Confident87Confident134 Ų134121.6 Ų121.666%0.6656%0.558SS**Hα-helixtrans-67.9-49.1177-167.8-176.6-67.100111R308 E309 L314 K315 Q316R308-M312 WeakPolarHBondContact O-CB 3.41Å; R308-M312 PolarHBondContact O-N 3.3Å; E309-M312 WeakPolarHBondContact O-CB 3.33Å; E309-M312 PolarHBondContact O-N 3.09Å; E309-M312 VanDerWaalsContact O-N 3.16Å; M312-L314 PolarHBondContact O-N 3.18Å; M312-K315 WeakPolarHBondContact O-CB 3.49Å; M312-K315 PolarHBondContact O-N 2.68Å; M312-K315 VanDerWaalsContact O-N 3.17Å; M312-Q316 PolarHBondContact O-N 3.41Å
313K89.2Confident87.6Confident124 Ų124123.7 Ų123.754%0.53956%0.558SS.*Hα-helixtrans-57.8-44.6173.4-84.8173.2173160.40112.3E309 K315 Q316 E317E309-K313 PolarHBondContact O-N 3.16Å; E309-K313 WeakPolarHBondContact OE1-CE 3.35Å; E309-K313 IonicContact OE1-NZ 2.67Å; E309-K313 PolarHBondContact OE1-NZ 3.16Å; K313-K315 VanDerWaalsContact C-N 3.33Å; K313-K315 PolarHBondContact O-N 3.18Å; K313-Q316 PolarHBondContact O-N 3.48Å; K313-E317 WeakPolarHBondContact O-CB 3.29Å; K313-E317 PolarHBondContact O-N 3.4Å
314L90.3Very high88.1Confident109 Ų109120.3 Ų120.357%0.57155%0.55SS**Hα-helixtrans-65-34.3177.1-172.768000112.7T310 M312 K318T310-L314 VanDerWaalsContact O-CB 3.32Å; T310-L314 WeakPolarHBondContact O-CB 3.23Å; T310-L314 PolarHBondContact O-N 3.1Å; M312-L314 PolarHBondContact O-N 3.18Å; L314-K318 VanDerWaalsContact O-CB 3.24Å; L314-K318 WeakPolarHBondContact O-CB 3.23Å; L314-K318 PolarHBondContact O-N 2.89Å; L314-K318 VanDerWaalsContact O-N 3.1Å
315K91Very high88.2Confident155 Ų155118.1 Ų118.167%0.67455%0.545SS*.Hα-helixtrans-65.5-45.4172.4-174.1-172.8174.2-168.30110.7K311 M312 K313 K318 E319K311-K315 WeakPolarHBondContact O-CB 3.38Å; K311-K315 PolarHBondContact O-N 2.65Å; M312-K315 WeakPolarHBondContact O-CB 3.49Å; M312-K315 PolarHBondContact O-N 2.68Å; M312-K315 VanDerWaalsContact O-N 3.17Å; K313-K315 VanDerWaalsContact C-N 3.33Å; K313-K315 PolarHBondContact O-N 3.18Å; K315-K318 PolarHBondContact O-N 3.03Å; K315-E319 PolarHBondContact O-N 2.93Å
316Q88.9Confident88.6Confident127 Ų127119.5 Ų119.559%0.59355%0.549SS*.Hα-helixtrans-63-49.7179.5-171.3174.43.600111.8M312 K313 K318 E319 E320M312-Q316 PolarHBondContact O-N 3.41Å; K313-Q316 PolarHBondContact O-N 3.48Å; Q316-K318 VanDerWaalsContact C-N 3.29Å; Q316-K318 PolarHBondContact O-N 3.09Å; Q316-E319 PolarHBondContact O-N 3.47Å; Q316-E319 VanDerWaalsContact O-N 3.15Å; Q316-E320 WeakPolarHBondContact O-CB 3.21Å; Q316-E320 PolarHBondContact O-N 3.46Å
317E88.4Confident89Confident83 Ų83115.8 Ų115.839%0.38854%0.543SS..Hα-helixtrans-59.1-39.3175.9-169.6-155.4144.300111.8K313 R321K313-E317 WeakPolarHBondContact O-CB 3.29Å; K313-E317 PolarHBondContact O-N 3.4Å; E317-R321 VanDerWaalsContact O-CB 3.31Å; E317-R321 WeakPolarHBondContact O-CB 3.45Å; E317-R321 PolarHBondContact O-N 3.25Å; E317-R321 IonicContact OE1-CZ 3.15Å; E317-R321 IonicContact OE1-NH1 2.69Å; E317-R321 PolarHBondContact OE1-NH1 3.24Å; E317-R321 IonicContact OE1-NH2 2.72Å; E317-R321 PolarHBondContact OE1-NH2 3.42Å
318K91Very high89.3Confident160 Ų160113.4 Ų113.470%0.69654%0.541SS*.Hα-helixtrans-69.3-35.7177.3-173.1175.8-179.2-179.80112.4L314 K315 Q316 A322L314-K318 VanDerWaalsContact O-CB 3.24Å; L314-K318 WeakPolarHBondContact O-CB 3.23Å; L314-K318 PolarHBondContact O-N 2.89Å; L314-K318 VanDerWaalsContact O-N 3.1Å; K315-K318 PolarHBondContact O-N 3.03Å; Q316-K318 VanDerWaalsContact C-N 3.29Å; Q316-K318 PolarHBondContact O-N 3.09Å; K318-A322 WeakPolarHBondContact O-CB 3.28Å; K318-A322 PolarHBondContact O-N 3.14Å; K318-A322 VanDerWaalsContact O-N 3.11Å
319E89Confident89.5Confident102 Ų102114.4 Ų114.448%0.47755%0.545SS..Hα-helixtrans-70.9-42.9174.8-163-166.8123.400111.4K315 Q316 A322 R323K315-E319 PolarHBondContact O-N 2.93Å; Q316-E319 PolarHBondContact O-N 3.47Å; Q316-E319 VanDerWaalsContact O-N 3.15Å; E319-A322 WeakPolarHBondContact O-CB 3.4Å; E319-A322 PolarHBondContact O-N 3.35Å; E319-A322 VanDerWaalsContact O-N 3.15Å; E319-R323 WeakPolarHBondContact O-CB 3.29Å; E319-R323 PolarHBondContact O-N 2.93Å; E319-R323 IonicContact OE1-CZ 3.78Å; E319-R323 IonicContact OE1-NH2 2.69Å; E319-R323 PolarHBondContact OE1-NH2 3.11Å
320E89.5Confident89.7Confident120 Ų120115.4 Ų115.456%0.56155%0.549SS*.Hα-helixtrans-60-49.9175.6-177167.1-152.500111.5Q316 A322 R323 E324Q316-E320 WeakPolarHBondContact O-CB 3.21Å; Q316-E320 PolarHBondContact O-N 3.46Å; E320-A322 PolarHBondContact O-N 3.16Å; E320-R323 CarbonylContact O-C 3.54Å; E320-R323 WeakPolarHBondContact O-CA 3.45Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 3.19Å; E320-E324 WeakPolarHBondContact O-CB 3.39Å; E320-E324 PolarHBondContact O-N 3.38Å
321R90.1Very high89.8Confident134 Ų134114.4 Ų114.451%0.50655%0.549SS..Hα-helixtrans-62-29.1174.4-171.4175.7-70.6118.8-1.4112.8E317 N325E317-R321 VanDerWaalsContact O-CB 3.31Å; E317-R321 WeakPolarHBondContact O-CB 3.45Å; E317-R321 PolarHBondContact O-N 3.25Å; E317-R321 IonicContact OE1-CZ 3.15Å; E317-R321 IonicContact OE1-NH1 2.69Å; E317-R321 PolarHBondContact OE1-NH1 3.24Å; E317-R321 IonicContact OE1-NH2 2.72Å; E317-R321 PolarHBondContact OE1-NH2 3.42Å; R321-N325 VanDerWaalsContact O-CB 3.31Å; R321-N325 WeakPolarHBondContact O-CB 3.46Å; R321-N325 PolarHBondContact O-N 2.83Å
322A90.1Very high89.8Confident59 Ų59111.7 Ų111.749%0.48855%0.545SS..Hα-helixtrans-73.4-37.1172.400000112.3K318 E319 E320 N325 K326K318-A322 WeakPolarHBondContact O-CB 3.28Å; K318-A322 PolarHBondContact O-N 3.14Å; K318-A322 VanDerWaalsContact O-N 3.11Å; E319-A322 WeakPolarHBondContact O-CB 3.4Å; E319-A322 PolarHBondContact O-N 3.35Å; E319-A322 VanDerWaalsContact O-N 3.15Å; E320-A322 PolarHBondContact O-N 3.16Å; A322-N325 PolarHBondContact O-N 2.91Å; A322-K326 PolarHBondContact O-N 2.82Å
323R90.7Very high90Very high156 Ų156112.9 Ų112.959%0.58954%0.543SS*.Hα-helixtrans-66.6-44.9175.8-158.5-176.1-61.3155.6-2.3111.1E319 E320 K326 A327E319-R323 WeakPolarHBondContact O-CB 3.29Å; E319-R323 PolarHBondContact O-N 2.93Å; E319-R323 IonicContact OE1-CZ 3.78Å; E319-R323 IonicContact OE1-NH2 2.69Å; E319-R323 PolarHBondContact OE1-NH2 3.11Å; E320-R323 CarbonylContact O-C 3.54Å; E320-R323 WeakPolarHBondContact O-CA 3.45Å; E320-R323 WeakPolarHBondContact O-CB 3.41Å; E320-R323 PolarHBondContact O-N 3.19Å; R323-K326 WeakPolarHBondContact O-CB 3.2Å; R323-K326 PolarHBondContact O-N 3.18Å; R323-A327 PolarHBondContact O-N 2.92Å
324E89.4Confident90.1Very high131 Ų131111.6 Ų111.661%0.61254%0.541SS*.Hα-helixtrans-58.2-50.4171.6-175.8-168-16000111.5E320 K326 A327 A328E320-E324 WeakPolarHBondContact O-CB 3.39Å; E320-E324 PolarHBondContact O-N 3.38Å; E324-K326 VanDerWaalsContact C-N 3.26Å; E324-K326 PolarHBondContact O-N 2.88Å; E324-A327 PolarHBondContact O-N 3.37Å; E324-A327 VanDerWaalsContact O-N 3.11Å; E324-A328 WeakPolarHBondContact O-CB 3.3Å; E324-A328 PolarHBondContact O-N 2.81Å
325N88.4Confident90.1Very high79 Ų79108.9 Ų108.942%0.42253%0.534SS..Hα-helixtrans-63.5-31.4179.5-154.3-64.9000112.1R321 A322 R329R321-N325 VanDerWaalsContact O-CB 3.31Å; R321-N325 WeakPolarHBondContact O-CB 3.46Å; R321-N325 PolarHBondContact O-N 2.83Å; A322-N325 PolarHBondContact O-N 2.91Å; N325-R329 WeakPolarHBondContact O-CD 3.44Å; N325-R329 WeakPolarHBondContact O-CG 3.26Å; N325-R329 PolarHBondContact O-N 2.89Å; N325-R329 VanDerWaalsContact OD1-CZ 3.31Å; N325-R329 PolarHBondContact OD1-NE 3.25Å; N325-R329 PolarHBondContact OD1-NH2 2.73Å
326K91.4Very high90Very high149 Ų149110.2 Ų110.265%0.64854%0.535SS*.Hα-helixtrans-66.8-49.3170.8-173.1-175174.8-170.40111.1A322 R323 E324 A328 R329 E330A322-K326 PolarHBondContact O-N 2.82Å; R323-K326 WeakPolarHBondContact O-CB 3.2Å; R323-K326 PolarHBondContact O-N 3.18Å; E324-K326 VanDerWaalsContact C-N 3.26Å; E324-K326 PolarHBondContact O-N 2.88Å; K326-A328 PolarHBondContact O-N 2.92Å; K326-R329 PolarHBondContact O-N 3.08Å; K326-E330 PolarHBondContact O-N 3.07Å
327A91.1Very high90.1Very high56 Ų56108.2 Ų108.246%0.46353%0.526SS..Hα-helixtrans-61-42.6178.300000112.3R323 E324 R329 E330 A331R323-A327 PolarHBondContact O-N 2.92Å; E324-A327 PolarHBondContact O-N 3.37Å; E324-A327 VanDerWaalsContact O-N 3.11Å; A327-R329 VanDerWaalsContact C-N 3.33Å; A327-R329 PolarHBondContact O-N 2.95Å; A327-E330 PolarHBondContact O-N 3.36Å; A327-A331 WeakPolarHBondContact O-CB 3.41Å; A327-A331 PolarHBondContact O-N 2.95Å
328A90.9Very high90.2Very high52 Ų52107.3 Ų107.343%0.4353%0.529SS..Hα-helixtrans-63.3-35.5176.700000112.9E324 K326 S332E324-A328 WeakPolarHBondContact O-CB 3.3Å; E324-A328 PolarHBondContact O-N 2.81Å; K326-A328 PolarHBondContact O-N 2.92Å; A328-S332 VanDerWaalsContact O-CB 3.29Å; A328-S332 WeakPolarHBondContact O-CB 3.36Å; A328-S332 PolarHBondContact O-N 3.41Å; A328-S332 PolarHBondContact O-OG 3.34Å
329R90.8Very high90.1Very high177 Ų177105.9 Ų105.967%0.66853%0.525SS*.Hα-helixtrans-69.9-38173-72.4169.5-167.6-155.10112.2N325 K326 A327 S332 R333N325-R329 WeakPolarHBondContact O-CD 3.44Å; N325-R329 WeakPolarHBondContact O-CG 3.26Å; N325-R329 PolarHBondContact O-N 2.89Å; N325-R329 VanDerWaalsContact OD1-CZ 3.31Å; N325-R329 PolarHBondContact OD1-NE 3.25Å; N325-R329 PolarHBondContact OD1-NH2 2.73Å; K326-R329 PolarHBondContact O-N 3.08Å; A327-R329 VanDerWaalsContact C-N 3.33Å; A327-R329 PolarHBondContact O-N 2.95Å; R329-S332 PolarHBondContact O-N 3.46Å; R329-R333 PolarHBondContact O-N 3.03Å
330E89.6Confident90.1Very high114 Ų114109.8 Ų109.853%0.53354%0.535SS..Hα-helixtrans-68-46.9176.5-174.7156.8-160.800111.4K326 A327 S332 R333 L334K326-E330 PolarHBondContact O-N 3.07Å; A327-E330 PolarHBondContact O-N 3.36Å; E330-S332 VanDerWaalsContact C-N 3.33Å; E330-S332 PolarHBondContact O-N 2.99Å; E330-R333 CarbonylContact O-C 3.52Å; E330-R333 WeakPolarHBondContact O-CA 3.35Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 3.39Å; E330-L334 HydrophobicContact CG-CD1 4.44Å; E330-L334 WeakPolarHBondContact O-CG 3.35Å; E330-L334 PolarHBondContact O-N 2.92Å
331A89.3Confident89.9Confident56 Ų56109.8 Ų109.846%0.46354%0.535SS..Hα-helixtrans-57.4-43.6171.400000111.9A327 R333 L334 A335A327-A331 WeakPolarHBondContact O-CB 3.41Å; A327-A331 PolarHBondContact O-N 2.95Å; A331-R333 VanDerWaalsContact C-N 3.27Å; A331-R333 PolarHBondContact O-N 3.12Å; A331-L334 PolarHBondContact O-N 3.09Å; A331-A335 WeakPolarHBondContact O-CB 3.14Å; A331-A335 PolarHBondContact O-N 3.25Å
332S89.2Confident89.8Confident68 Ų68106 Ų10648%0.47653%0.533SS..Hα-helixtrans-63.2-30.5173.7-62.80000113.2A328 R329 E330 R336A328-S332 VanDerWaalsContact O-CB 3.29Å; A328-S332 WeakPolarHBondContact O-CB 3.36Å; A328-S332 PolarHBondContact O-N 3.41Å; A328-S332 PolarHBondContact O-OG 3.34Å; R329-S332 PolarHBondContact O-N 3.46Å; E330-S332 VanDerWaalsContact C-N 3.33Å; E330-S332 PolarHBondContact O-N 2.99Å; S332-R336 WeakPolarHBondContact O-CG 3.5Å; S332-R336 PolarHBondContact O-N 2.66Å
333R91.8Very high89.6Confident159 Ų159108.8 Ų108.860%0.654%0.539SS*.Hα-helixtrans-74.1-44.4174.9-155.1-165.885.4168.5-0110.8R329 E330 A331 R336 Q337R329-R333 PolarHBondContact O-N 3.03Å; E330-R333 CarbonylContact O-C 3.52Å; E330-R333 WeakPolarHBondContact O-CA 3.35Å; E330-R333 WeakPolarHBondContact O-CB 3.32Å; E330-R333 PolarHBondContact O-N 3.39Å; A331-R333 VanDerWaalsContact C-N 3.27Å; A331-R333 PolarHBondContact O-N 3.12Å; R333-R336 PolarHBondContact O-N 3.13Å; R333-Q337 WeakPolarHBondContact O-CG 3.38Å; R333-Q337 PolarHBondContact O-N 2.91Å
334L91.1Very high89.2Confident97 Ų97105.9 Ų105.951%0.50853%0.534SS..Hα-helixtrans-62.8-45.1177-69.4172000111.4E330 A331 R336 Q337 S338E330-L334 HydrophobicContact CG-CD1 4.44Å; E330-L334 WeakPolarHBondContact O-CG 3.35Å; E330-L334 PolarHBondContact O-N 2.92Å; A331-L334 PolarHBondContact O-N 3.09Å; L334-R336 VanDerWaalsContact C-N 3.33Å; L334-R336 PolarHBondContact O-N 3.28Å; L334-Q337 CarbonylContact O-C 3.55Å; L334-Q337 WeakPolarHBondContact O-CA 3.39Å; L334-Q337 WeakPolarHBondContact O-CB 3.21Å; L334-Q337 PolarHBondContact O-N 3.24Å; L334-S338 PolarHBondContact O-N 2.87Å; L334-S338 PolarHBondContact O-OG 2.6Å
335A90.2Very high88.8Confident52 Ų52105.4 Ų105.443%0.4353%0.532SS..Hα-helixtrans-58.2-41.5175.200000112.5A331 Q337 S338 E339A331-A335 WeakPolarHBondContact O-CB 3.14Å; A331-A335 PolarHBondContact O-N 3.25Å; A335-Q337 VanDerWaalsContact C-N 3.32Å; A335-Q337 PolarHBondContact O-N 2.99Å; A335-S338 PolarHBondContact O-N 3.16Å; A335-S338 PolarHBondContact O-OG 2.98Å; A335-S338 VanDerWaalsContact O-OG 3.07Å; A335-E339 WeakPolarHBondContact O-CB 3.39Å; A335-E339 PolarHBondContact O-N 3.09Å
336R89.6Confident88.5Confident184 Ų184104 Ų10469%0.69453%0.531SS*.Hα-helixtrans-71.6-23.4173.8-73.3176.2177-1800.5113.6S332 R333 L334 R340S332-R336 WeakPolarHBondContact O-CG 3.5Å; S332-R336 PolarHBondContact O-N 2.66Å; R333-R336 PolarHBondContact O-N 3.13Å; L334-R336 VanDerWaalsContact C-N 3.33Å; L334-R336 PolarHBondContact O-N 3.28Å; R336-R340 VanDerWaalsContact O-CB 3.25Å; R336-R340 WeakPolarHBondContact O-CB 3.43Å; R336-R340 PolarHBondContact O-N 2.94Å
337Q90.7Very high87.9Confident84 Ų84105 Ų10539%0.39353%0.531SS..Hα-helixtrans-77.8-42.2173.3-73.3-177.1-88.600111R333 L334 A335 R340 Q341R333-Q337 WeakPolarHBondContact O-CG 3.38Å; R333-Q337 PolarHBondContact O-N 2.91Å; L334-Q337 CarbonylContact O-C 3.55Å; L334-Q337 WeakPolarHBondContact O-CA 3.39Å; L334-Q337 WeakPolarHBondContact O-CB 3.21Å; L334-Q337 PolarHBondContact O-N 3.24Å; A335-Q337 VanDerWaalsContact C-N 3.32Å; A335-Q337 PolarHBondContact O-N 2.99Å; Q337-R340 PolarHBondContact O-N 3.13Å; Q337-Q341 WeakPolarHBondContact O-CG 3.47Å; Q337-Q341 PolarHBondContact O-N 2.94Å
338S90.2Very high87.2Confident65 Ų65111.4 Ų111.446%0.45554%0.543SS..Hα-helixtrans-70.1-39.8175.2590000112.4L334 A335 R340 Q341 A342L334-S338 PolarHBondContact O-N 2.87Å; L334-S338 PolarHBondContact O-OG 2.6Å; A335-S338 PolarHBondContact O-N 3.16Å; A335-S338 PolarHBondContact O-OG 2.98Å; A335-S338 VanDerWaalsContact O-OG 3.07Å; S338-R340 VanDerWaalsContact C-N 3.3Å; S338-R340 PolarHBondContact O-N 3.06Å; S338-Q341 PolarHBondContact O-N 2.89Å; S338-A342 WeakPolarHBondContact O-CB 3.31Å; S338-A342 PolarHBondContact O-N 2.85Å
339E88.8Confident86.1Confident130 Ų130115.9 Ų115.961%0.60756%0.555SS**Hα-helixtrans-55.8-44.9169.9-179.7-176.3-156.200111.2A335 A342 L343A335-E339 WeakPolarHBondContact O-CB 3.39Å; A335-E339 PolarHBondContact O-N 3.09Å; E339-A342 PolarHBondContact O-N 3.48Å; E339-L343 WeakPolarHBondContact O-CB 3.34Å; E339-L343 PolarHBondContact O-N 2.88Å
340R88.8Confident84.7Confident184 Ų184113.7 Ų113.769%0.69456%0.557SS**Hα-helixtrans-69.6-32.3177.3-171.8174.1-1781800.6113R336 Q337 S338 L344R336-R340 VanDerWaalsContact O-CB 3.25Å; R336-R340 WeakPolarHBondContact O-CB 3.43Å; R336-R340 PolarHBondContact O-N 2.94Å; Q337-R340 PolarHBondContact O-N 3.13Å; S338-R340 VanDerWaalsContact C-N 3.3Å; S338-R340 PolarHBondContact O-N 3.06Å; R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CB 3.5Å; R340-L344 VanDerWaalsContact O-CG 3.26Å; R340-L344 WeakPolarHBondContact O-CG 3.49Å; R340-L344 PolarHBondContact O-N 2.95Å; R340-L344 VanDerWaalsContact O-N 3.12Å
341Q86.4Confident83Confident120 Ų120115.1 Ų115.156%0.56157%0.565SS**Hα-helixtrans-69.4-49.2172.6-77.6175-57.600111Q337 S338 L343 L344 E345Q337-Q341 WeakPolarHBondContact O-CG 3.47Å; Q337-Q341 PolarHBondContact O-N 2.94Å; S338-Q341 PolarHBondContact O-N 2.89Å; Q341-L343 VanDerWaalsContact C-N 3.29Å; Q341-L343 PolarHBondContact O-N 2.84Å; Q341-L344 CarbonylContact O-C 3.5Å; Q341-L344 WeakPolarHBondContact O-CA 3.43Å; Q341-L344 WeakPolarHBondContact O-CB 3.33Å; Q341-L344 PolarHBondContact O-N 3.21Å; Q341-E345 WeakPolarHBondContact O-CG 3.28Å; Q341-E345 PolarHBondContact O-N 3.02Å
342A86.9Confident81.1Confident55 Ų55117 Ų11746%0.45558%0.575SS.*Hα-helixtrans-57.7-40.3176.300000112.1S338 E339 E345 A346S338-A342 WeakPolarHBondContact O-CB 3.31Å; S338-A342 PolarHBondContact O-N 2.85Å; E339-A342 PolarHBondContact O-N 3.48Å; A342-E345 PolarHBondContact O-N 3.44Å; A342-A346 VanDerWaalsContact O-CB 3.27Å; A342-A346 WeakPolarHBondContact O-CB 3.48Å; A342-A346 PolarHBondContact O-N 3.2Å
343L85.9Confident78.9Confident117 Ų117120.8 Ų120.861%0.61359%0.588SS**Hα-helixtrans-69.2-31.2175.2-171.1144.1000112.8E339 Q341 R347E339-L343 WeakPolarHBondContact O-CB 3.34Å; E339-L343 PolarHBondContact O-N 2.88Å; Q341-L343 VanDerWaalsContact C-N 3.29Å; Q341-L343 PolarHBondContact O-N 2.84Å; L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.33Å; L343-R347 PolarHBondContact O-N 2.89Å; L343-R347 VanDerWaalsContact O-N 3.11Å
344L81.9Confident76.4Confident94 Ų94118.4 Ų118.449%0.49260%0.596SS.*Hα-helixtrans-72.3-38.9171.2-76.1168.5000112R340 Q341 R347 R348R340-L344 HydrophobicContact CG-CD1 4.49Å; R340-L344 WeakPolarHBondContact O-CB 3.5Å; R340-L344 VanDerWaalsContact O-CG 3.26Å; R340-L344 WeakPolarHBondContact O-CG 3.49Å; R340-L344 PolarHBondContact O-N 2.95Å; R340-L344 VanDerWaalsContact O-N 3.12Å; Q341-L344 CarbonylContact O-C 3.5Å; Q341-L344 WeakPolarHBondContact O-CA 3.43Å; Q341-L344 WeakPolarHBondContact O-CB 3.33Å; Q341-L344 PolarHBondContact O-N 3.21Å; L344-R347 CarbonylContact O-C 3.57Å; L344-R347 PolarHBondContact O-N 3.07Å; L344-R348 WeakPolarHBondContact O-CG 3.46Å; L344-R348 PolarHBondContact O-N 3.13Å
345E82.1Confident73.8Confident121 Ų121119.5 Ų119.557%0.56561%0.612SS**Hα-helixtrans-68.9-45.3177.5-73175.3174.300111.7Q341 A342 R347 R348 Q349Q341-E345 WeakPolarHBondContact O-CG 3.28Å; Q341-E345 PolarHBondContact O-N 3.02Å; A342-E345 PolarHBondContact O-N 3.44Å; E345-R347 PolarHBondContact O-N 3.27Å; E345-R348 PolarHBondContact O-N 3.44Å; E345-Q349 PolarHBondContact O-N 3.42Å
346A81.4Confident71.3Confident49 Ų49122.2 Ų122.241%0.40563%0.625SS.*Hα-helixtrans-58.1-36.7170.500000111.8A342 N350A342-A346 VanDerWaalsContact O-CB 3.27Å; A342-A346 WeakPolarHBondContact O-CB 3.48Å; A342-A346 PolarHBondContact O-N 3.2Å; A346-N350 WeakPolarHBondContact O-CB 3.49Å; A346-N350 PolarHBondContact O-N 3.25Å; A346-N350 VanDerWaalsContact O-N 3.1Å; A346-N350 PolarHBondContact O-ND2 2.9Å
347R78.3Confident68.7Low172 Ų172125.1 Ų125.165%0.64964%0.636SS**Hα-helixtrans-71.6-33.9173.2-170.4172.7-175.3172.32.4112.8L343 L344 E345 M351L343-R347 VanDerWaalsContact O-CB 3.28Å; L343-R347 WeakPolarHBondContact O-CB 3.33Å; L343-R347 PolarHBondContact O-N 2.89Å; L343-R347 VanDerWaalsContact O-N 3.11Å; L344-R347 CarbonylContact O-C 3.57Å; L344-R347 PolarHBondContact O-N 3.07Å; E345-R347 PolarHBondContact O-N 3.27Å; R347-M351 HydrophobicContact CG-CG 4.48Å; R347-M351 WeakPolarHBondContact O-CB 3.3Å; R347-M351 WeakPolarHBondContact O-CG 3.5Å; R347-M351 PolarHBondContact O-N 3.48Å; R347-M351 VanDerWaalsContact O-N 3.15Å
348R76.8Confident66.2Low189 Ų189125.8 Ų125.871%0.71365%0.65SS**Hα-helixtrans-67.1-47.3173.6-73.7-172.977.2-140.30.9111.1L344 E345 N350 M351 S352L344-R348 WeakPolarHBondContact O-CG 3.46Å; L344-R348 PolarHBondContact O-N 3.13Å; E345-R348 PolarHBondContact O-N 3.44Å; R348-N350 PolarHBondContact O-N 3.1Å; R348-M351 PolarHBondContact O-N 3.45Å; R348-S352 PolarHBondContact O-N 3.12Å; R348-S352 VanDerWaalsContact O-N 3.16Å; R348-S352 PolarHBondContact O-OG 3.19Å
349Q68.3Low63.7Low146 Ų146129.4 Ų129.468%0.68267%0.665SS**Hα-helixtrans-59.1-45.7177.1-69.3-173.8-0.200111.9E345 M351 S352E345-Q349 PolarHBondContact O-N 3.42Å; Q349-M351 PolarHBondContact O-N 3.15Å; Q349-S352 PolarHBondContact O-N 2.89Å; Q349-S352 VanDerWaalsContact O-N 3.13Å
350N60.8Low61.2Low132 Ų132129.3 Ų129.371%0.70667%0.668SS**Hα-helixtrans-67.8-16.4175.8-79.2-76.2000114.6A346 R348A346-N350 WeakPolarHBondContact O-CB 3.49Å; A346-N350 PolarHBondContact O-N 3.25Å; A346-N350 VanDerWaalsContact O-N 3.1Å; A346-N350 PolarHBondContact O-ND2 2.9Å; R348-N350 PolarHBondContact O-N 3.1Å
351M54Low58.9Low143 Ų143127.9 Ų127.970%0.70467%0.669SS**Hα-helixtrans-93.9-5173.8-71.6-71.2-57.500113.2R347 R348 Q349R347-M351 HydrophobicContact CG-CG 4.48Å; R347-M351 WeakPolarHBondContact O-CB 3.3Å; R347-M351 WeakPolarHBondContact O-CG 3.5Å; R347-M351 PolarHBondContact O-N 3.48Å; R347-M351 VanDerWaalsContact O-N 3.15Å; R348-M351 PolarHBondContact O-N 3.45Å; Q349-M351 PolarHBondContact O-N 3.15Å
352S49.3Very low56.3Low96 Ų96128.7 Ų128.767%0.67167%0.673SS**SBendtrans-97.2-4.1-176.1-64.80000114.6R348 Q349R348-S352 PolarHBondContact O-N 3.12Å; R348-S352 VanDerWaalsContact O-N 3.16Å; R348-S352 PolarHBondContact O-OG 3.19Å; Q349-S352 PolarHBondContact O-N 2.89Å; Q349-S352 VanDerWaalsContact O-N 3.13Å
353I43.7Very low53.8Low148 Ų148133 Ų13376%0.75968%0.684SS**  trans-117.372.1-174.9-50.5179.6000109.4
354S38.6Very low51.3Low108 Ų108133.7 Ų133.776%0.75569%0.687SS**  trans-157.965176.4-77.10000112.1
355S36.5Very low49.1Very low120 Ų120135.4 Ų135.484%0.83970%0.696SS**  trans-151.5125.4160.6-76.10000108.2
356P38.9Very low46.9Very low110 Ų110136.6 Ų136.671%0.71470%0.702SS**  trans-100.7157.2-165.338.7-36.7000114.7
357W34.6Very low44.7Very low244 Ų244140.1 Ų140.192%0.92471%0.714SS**  trans98.7151158.9-62.3-2.3000120.4
358S38.3Very low42.8Very low99 Ų99140.6 Ų140.669%0.69272%0.721SS**  trans67.384.1166.538.90000119.7
359N36.7Very low40.7Very low141 Ų141137 Ų13775%0.75472%0.719SS**  74.2134.6112.1-67.45.6000123.1
360N38Very low38.8Very low127 Ų127137.2 Ų137.268%0.67972%0.72SS**  trans86120.6140.7-69.43.1000120.1
361H39.6Very low37.6Very low155 Ų155137.4 Ų137.472%0.71872%0.719SS**  trans43.7138.3146.9-62.3-74.5000120
362Q31.5Very low36.5Very low136 Ų136138.1 Ų138.164%0.63672%0.721SS**  cis162.2152.4-9.2156.3173.5-22.600104.4
363E35.7Very low35.6Very low147 Ų147138.7 Ų138.769%0.68773%0.725SS**  trans77.9141.5161.7-91.3174.8115.900122.7
364L33Very low35.2Very low130 Ų130139.3 Ų139.368%0.68173%0.726SS**  trans76.6102.1144.8-104.259000121.9
365L35.9Very low35Very low130 Ų130139.3 Ų139.368%0.68173%0.726SS**  72.7121.6120.6-98.260.4000121.2
366E34.3Very low35.2Very low147 Ų147141.2 Ų141.269%0.68773%0.726SS**  79.4121.7124.9-83.9-178.2-146.400123.5
367N35.7Very low35.1Very low123 Ų123142.2 Ų142.266%0.65873%0.725SS**  84.5136.2124-75.5-29.7000122.2
368K37.7Very low35.3Very low182 Ų182136.1 Ų136.179%0.79172%0.72SS**  trans72.2105.9146.1-77.7-178.5176.2-178.70120.8
369T33.6Very low35.1Very low112 Ų112138.6 Ų138.669%0.68773%0.725SS**  72.5142.1102.4-57.30000120.9
370E29.4Very low35.2Very low151 Ų151137.8 Ų137.871%0.70673%0.731SS**  trans79.2119.7157.1-84.7170.6121.800122.9
371M33.6Very low35.3Very low136 Ų136140.5 Ų140.567%0.6774%0.736SS**  71.2120.9127.2-72.7-170.4-161.500124.9
372Q31Very low35Very low159 Ų159142.1 Ų142.174%0.74374%0.742SS**  75.8142.7123.2-67.1-174.432.600123.4
373S31.4Very low35.4Very low108 Ų108143 Ų14376%0.75575%0.747SS**  trans70.2152.7158.3770000116.2
374M36Very low35.4Very low161 Ų161139 Ų13979%0.79375%0.746SS**  cis-132.1147.618.5-69.4173.2-86.500110.4
375S34.5Very low35.5Very low107 Ų107143 Ų14375%0.74875%0.754SS**  49.6131.689.8-39.80000113.8
376L40Very low35.7Very low160 Ų160143.7 Ų143.784%0.83876%0.758SS**  -153141.852.9-75.7164.3000109.4
377N36.5Very low35.9Very low131 Ų131142.6 Ų142.670%0.70176%0.764SS**  90.3107.554.2-178.128000115
378S39.2Very low35.9Very low116 Ų116140.2 Ų140.281%0.81177%0.768SS**  trans-169.9152.8141.954.30000111.4
379N33.6Very low35.7Very low152 Ų152136.6 Ų136.681%0.81377%0.772SS**  trans-116.8153.4-172.4-73-83.8000113
380S39.7Very low35.7Very low123 Ų123141.7 Ų141.786%0.8679%0.785SS**  trans-154.9144134-163.90000112.8
381K39.5Very low35.9Very low185 Ų185142.8 Ų142.880%0.80479%0.791SS**  trans-92.8153.7-174.2-55.3160.7176.6174.50110.9
382F33Very low36Very low188 Ų188142.9 Ų142.983%0.82580%0.799SS**  -159.7176.7105.3-140.4-107.4000112.8
383M40.5Very low36.2Very low154 Ų154144.1 Ų144.176%0.75980%0.802SS**  trans-104.4157.2-158.4-63.5156.15100115.3
384G35.2Very low36.7Very low64 Ų64144.4 Ų144.466%0.6680%0.801SS**  trans154.3106.6150.100000116.7
385Y36.3Very low36.4Very low214 Ų214142.2 Ų142.284%0.83980%0.801SS**  trans18146.4144-61.1-81.9000121.2
386D38.7Very low36.3Very low145 Ų145147 Ų14778%0.77581%0.809SS**  cis-164.6156.6-16.5-141.711.7000106.9
387P38.3Very low36.1Very low124 Ų124144.7 Ų144.781%0.80580%0.802SS**  trans-95145-162.935.4-34.5000116.2
388G36Very low35.8Very low73 Ų73144.9 Ų144.975%0.75381%0.807SS**  trans-170.4155.9168.800000114.3
389A33.9Very low35.5Very low106 Ų106144.3 Ų144.388%0.87680%0.804SS**  trans59.581.2171.400000118.5
390F34.3Very low35.3Very low219 Ų219142.6 Ų142.696%0.96180%0.804SS**  trans-82.2110.5155.2-99.2-92.1000110.7
391E32.4Very low35.1Very low174 Ų174145.2 Ų145.281%0.81380%0.799SS**  trans176.684.4137.2-93.7-131121.300111.4
392T36.1Very low34.9Very low137 Ų137143.9 Ų143.984%0.8480%0.801SS**  trans-132.9119.3163.251.60000110.3
393K34.9Very low34.7Very low185 Ų185143.7 Ų143.780%0.80480%0.8SS**  trans-73.4126.3-178.3-69.8169.6-177.81630110.7S395K393-S395 PolarHBondContact O-N 2.89Å
394P41.5Very low34.4Very low115 Ų115142.2 Ų142.275%0.74780%0.802SS**  trans-71.5124.518028-33.6000111.2
395S31.1Very low34.1Very low114 Ų114146.9 Ų146.980%0.79781%0.807SS**  trans-81.8112.5164.6-65.20000108.9K393 T397K393-S395 PolarHBondContact O-N 2.89Å; S395-T397 PolarHBondContact O-N 2.87Å
396F32Very low34Very low208 Ų208144.5 Ų144.591%0.91281%0.809SS**  trans-82.4118.6178.8-121.1-82.7000111.5
397T34.9Very low33.5Very low111 Ų111143.9 Ų143.968%0.68180%0.804SS**  trans-101.3144.1174.2440000112.1S395S395-T397 PolarHBondContact O-N 2.87Å
398V31.2Very low33.6Very low135 Ų135144 Ų14482%0.81881%0.806SS**  trans39112.5144.1-174.90000118.3
399S31.8Very low33.4Very low105 Ų105148.4 Ų148.473%0.73481%0.806SS**  -159130.6125.3-152.60000112
400S30.5Very low33.5Very low116 Ų116152.9 Ų152.981%0.81181%0.806SS**  trans-99120.7173.8-56.20000109.9
401K35.6Very low33.6Very low178 Ų178148.1 Ų148.177%0.77480%0.795SS**  trans-143.4111.4165.2-70.4-165.6178.6-178.50113
402N34.2Very low33.5Very low157 Ų157146.2 Ų146.284%0.8479%0.786SS**  trans71.1134.6140-56.3-2.8000122.2
403F28.2Very low33.6Very low184 Ų184145.3 Ų145.381%0.80778%0.782SS**  trans-52.4167152.2-92.8-108.4000112.4
404P34.5Very low33.6Very low123 Ų123140.4 Ų140.480%0.79977%0.765SS**  cis-140173.137.341.7-22.3000120.2
405Q29.6Very low33.4Very low162 Ų162143.1 Ų143.176%0.75777%0.773SS**  trans-60.1142.4166.4161.7-172.7-7.400113.4
406D34.8Very low33.5Very low164 Ų164145.1 Ų145.188%0.87777%0.769SS**  trans-154.7155.4156.1-120.4-32.9000111.6
407L28.3Very low33.6Very low131 Ų131147.2 Ų147.269%0.68677%0.771SS**  trans-140.8149.6-171.3-158.989.4000111.3
408P39.9Very low33.5Very low128 Ų128150.3 Ų150.383%0.83178%0.778SS**  trans-137.5153.5144.131-14.6000115.2
409H31Very low33.4Very low165 Ų165153.6 Ų153.676%0.76478%0.782SS**  trans-89.2150.9-176.7-76.9-108.4000114.8
410K36Very low33.7Very low200 Ų200154.5 Ų154.587%0.8779%0.785SS**  trans-163.596.9138.4-111.8174.6178.7179.40109.5
411T36.2Very low33.7Very low118 Ų118157.4 Ų157.472%0.72479%0.79SS**  79.397.390-54.60000113.9
412E30.8Very low33.5Very low135 Ų135156.8 Ų156.863%0.63179%0.79SS**  36.3150.4129.4-80.6-78.5100.600121.4N414E412-N414 PolarHBondContact OE1-N 3.46Å; E412-N414 VanDerWaalsContact OE1-N 3.17Å; E412-N414 PolarHBondContact OE2-N 3.29Å; E412-N414 PolarHBondContact OE2-ND2 3.38Å
413P38.3Very low33.2Very low117 Ų117156.3 Ų156.376%0.7679%0.787SS**  cis-137.2141.932.337.7-17.9000120
414N34.3Very low33.4Very low82 Ų82152.8 Ų152.844%0.43978%0.78SS.*  trans37.1124.9132.9-101.9-62000123.7E412 H416E412-N414 PolarHBondContact OE1-N 3.46Å; E412-N414 VanDerWaalsContact OE1-N 3.17Å; E412-N414 PolarHBondContact OE2-N 3.29Å; E412-N414 PolarHBondContact OE2-ND2 3.38Å; N414-H416 PolarHBondContact OD1-CE1 3.15Å; N414-H416 PolarHBondContact OD1-ND1 2.91Å; N414-H416 VanDerWaalsContact OD1-ND1 3.11Å
415N38.5Very low33.1Very low172 Ų172156.2 Ų156.292%0.9278%0.779SS**  trans-152.5126.4135.9-118.2-57.7000109.5
416H34Very low33.3Very low156 Ų156154 Ų15472%0.72278%0.781SS**  trans-100.4135.5-167-79.6-18.3000115N414N414-H416 PolarHBondContact OD1-CE1 3.15Å; N414-H416 PolarHBondContact OD1-ND1 2.91Å; N414-H416 VanDerWaalsContact OD1-ND1 3.11Å
417R33.6Very low33.2Very low252 Ų252153.1 Ų153.195%0.95178%0.777SS**  trans-151141.1134.2-115.8-178.6-174.1-128.90.3110.2
418Q32.1Very low33.5Very low177 Ų177153.7 Ų153.783%0.82779%0.785SS**  trans-90.7146.8-162.9-65.3155.4-53.600113.7
419F29.9Very low33.3Very low203 Ų203153.1 Ų153.189%0.8978%0.782SS**  trans-122.5119.7156-85.4-82.1000108.7L421F419-L421 PolarHBondContact O-N 2.96Å
420P38Very low33.4Very low124 Ų124153 Ų15381%0.80579%0.786SS**  trans-79.6113.5169.4-9.426.6000110.1
421L30Very low33.2Very low177 Ų177154.7 Ų154.793%0.92779%0.787SS**  trans-89.8118.6156.2-74.6174.5000107.7F419F419-L421 PolarHBondContact O-N 2.96Å
422H31.1Very low33Very low166 Ų166156.4 Ų156.477%0.76979%0.791SS**  trans-121.7107.2168.5-156.9-98.8000109.5T424H422-T424 VanDerWaalsContact CE1-CG2 3.48Å; H422-T424 WeakPolarHBondContact CE1-CG2 3.36Å
423L27.9Very low33.1Very low146 Ų146158 Ų15876%0.76480%0.802SS**  trans-101.3110.9-179.7-170.677.6000108.8Y425L423-Y425 HydrophobicContact CD2-CD2 4.37Å; L423-Y425 HydrophobicContact CD2-CE2 3.83Å; L423-Y425 HydrophobicContact CG-CE2 4.44Å
424T31.9Very low32.7Very low110 Ų110157 Ų15768%0.67580%0.798SS**  trans-116.5111.4174.3400000110.6H422H422-T424 VanDerWaalsContact CE1-CG2 3.48Å; H422-T424 WeakPolarHBondContact CE1-CG2 3.36Å
425Y29.5Very low33Very low195 Ų195158.2 Ų158.277%0.76581%0.81SS**  trans-68.7149.9170.7-84.2-105.8000111.4L423L423-Y425 HydrophobicContact CD2-CD2 4.37Å; L423-Y425 HydrophobicContact CD2-CE2 3.83Å; L423-Y425 HydrophobicContact CG-CE2 4.44Å
426S33.4Very low32.7Very low116 Ų116158.6 Ų158.681%0.81181%0.807SS**  trans-130.1143.1152.858.90000109
427N32.4Very low32.8Very low146 Ų146157 Ų15778%0.78181%0.808SS**  trans-96.6143.6-163.5-68.5-58.3000113.3
428V35.1Very low32.7Very low142 Ų142152 Ų15286%0.86180%0.8SS**  trans-142.9141.5144.8-109.80000109
429P36.5Very low33Very low117 Ų117150.7 Ų150.776%0.7680%0.797SS**PPolyproline II helixtrans-98.9140.8-152.935.9-35.4000115.7
430N31.6Very low33Very low161 Ų161148.6 Ų148.686%0.86180%0.795SS**PPolyproline II helixtrans-75.6123.4156.4-78.4-31.6000109.6
431R32.6Very low33.1Very low237 Ų237149.6 Ų149.689%0.89479%0.793SS**PPolyproline II helixtrans-82.9123.1165-85.1-167.8173.4-148.60.1110.2
432L30.6Very low33.2Very low154 Ų154150.1 Ų150.181%0.80679%0.787SS**PPolyproline II helixtrans-70.8139.9159.1-82.874.5000109.5
433I32.9Very low33.5Very low168 Ų168147.9 Ų147.986%0.86279%0.787SS**  trans-131.3131.2147.3-61.2-178.1000106.4
434S31.7Very low33.8Very low96 Ų96147 Ų14767%0.67178%0.782SS**  trans-169.6155.6-173-174.80000108.3
435P39.1Very low34Very low107 Ų107149.3 Ų149.370%0.69579%0.789SS**  cis-128.5179.4-44.538.4-25.8000110.6
436Q33.6Very low34.1Very low180 Ų180145.2 Ų145.284%0.84178%0.776SS**  trans-172.9179.7139.4-111.4-177.579.300114
437T35.7Very low34.1Very low122 Ų122146.6 Ų146.675%0.74877%0.77SS**  trans59.760.3171.9640000118.4
438N31.5Very low34.3Very low149 Ų149145.1 Ų145.180%0.79777%0.768SS**  26.297.2120.5-171.59.3000118.5
439I38.5Very low34.3Very low148 Ų148145.3 Ų145.376%0.75976%0.763SS**  trans-141.2132.8146.9-59.3-176.7000107.4I441I439-I441 PolarHBondContact O-N 3.16Å
440D29.9Very low34.1Very low159 Ų159147.7 Ų147.785%0.8577%0.769SS**  trans-71.2108-178.5-98-51.4000113.2
441I39.1Very low34.2Very low146 Ų146143.7 Ų143.775%0.74975%0.754SS**  trans-136.6117.2166.2-55.2-179000109.4I439 P443I439-I441 PolarHBondContact O-N 3.16Å; I441-P443 WeakPolarHBondContact O-CD 3.39Å
442K33.2Very low34.2Very low188 Ų188137.3 Ų137.382%0.81775%0.745SS**  trans-68.4125.7176.4-75.8176.1177.1170.70110.9I444K442-I444 PolarHBondContact O-N 2.96Å; K442-I444 VanDerWaalsContact O-N 3.07Å
443P36.9Very low34.5Very low118 Ų118135.5 Ų135.577%0.76675%0.745SS**  trans-73.5100169.429.7-32.6000109.7I441 I445I441-P443 WeakPolarHBondContact O-CD 3.39Å; P443-I445 PolarHBondContact O-N 3.2Å; P443-I445 VanDerWaalsContact O-N 3.17Å
444I33.6Very low34.7Very low127 Ų127132.7 Ų132.765%0.65174%0.736SS**  trans-75.7103.8171.1-52.1178.4000108K442 H446K442-I444 PolarHBondContact O-N 2.96Å; K442-I444 VanDerWaalsContact O-N 3.07Å; I444-H446 VanDerWaalsContact CG2-CD2 3.46Å; I444-H446 WeakPolarHBondContact CG2-CD2 3.3Å; I444-H446 WeakPolarHBondContact CG2-NE2 3.36Å; I444-H446 PolarHBondContact O-N 3.25Å
445I36.1Very low34.9Very low160 Ų160133.9 Ų133.982%0.82174%0.741SS**  trans-72.585.3171.2-55.8178.3000108P443 H447P443-I445 PolarHBondContact O-N 3.2Å; P443-I445 VanDerWaalsContact O-N 3.17Å; I445-H447 PolarHBondContact O-N 3Å
446H31.5Very low34.8Very low109 Ų109135.3 Ų135.351%0.50575%0.748SS.*PPolyproline II helixtrans-66.5123.9169.6-82.2-89.6000109.7I444 S451I444-H446 VanDerWaalsContact CG2-CD2 3.46Å; I444-H446 WeakPolarHBondContact CG2-CD2 3.3Å; I444-H446 WeakPolarHBondContact CG2-NE2 3.36Å; I444-H446 PolarHBondContact O-N 3.25Å; H446-S451 WeakPolarHBondContact ND1-CB 3.26Å
447H33.6Very low34.8Very low145 Ų145130.2 Ų130.267%0.67174%0.744SS**PPolyproline II helixtrans-58134158.3-103.2-93.7000108.8I445 L449I445-H447 PolarHBondContact O-N 3Å; H447-L449 PolarHBondContact O-N 3.19Å
448P35.9Very low34.8Very low114 Ų114130 Ų13074%0.7475%0.747SS**SBendtrans-64.6124166.827.4-31.8000108
449L35.9Very low35.2Very low146 Ų146132.2 Ų132.276%0.76475%0.75SS**SBendtrans72135.3-167.1-43.3176.4000113.5H447H447-L449 PolarHBondContact O-N 3.19Å
450L33.2Very low35.1Very low167 Ų167132.6 Ų132.687%0.87475%0.753SS**SBendtrans72.265-178.4-52.5179.6000117.6
451S33.4Very low35.1Very low78 Ų78129.8 Ų129.855%0.54575%0.746SS.*  trans-163.7110.2146.4-84.30000112.1H446H446-S451 WeakPolarHBondContact ND1-CB 3.26Å
452S33Very low35Very low102 Ų102129.5 Ų129.571%0.71375%0.752SS**  trans-142.273.4168.862.90000109.7V454S452-V454 PolarHBondContact O-N 3.09Å
453S36.4Very low35.1Very low116 Ų116126.5 Ų126.581%0.81174%0.742SS**  trans-74.8115.1176.6-56.70000110.1
454V36.1Very low35.1Very low109 Ų109130.7 Ų130.766%0.66174%0.744SS**PPolyproline II helixtrans-79.5129.2169179.30000108.2S452 V456S452-V454 PolarHBondContact O-N 3.09Å; V454-V456 PolarHBondContact O-N 3.27Å
455P37.5Very low35.5Very low121 Ų121130.7 Ų130.779%0.78675%0.749SS**PPolyproline II helixtrans-73.8125.5177.929.5-33.4000110.7
456V36.8Very low35.5Very low138 Ų138131.7 Ų131.784%0.83675%0.751SS**PPolyproline II helixtrans-84.9117.4169.5179.50000108.3V454V454-V456 PolarHBondContact O-N 3.27Å
457G33.3Very low36.1Very low73 Ų73135.2 Ų135.275%0.75377%0.767SS**PPolyproline II helixtrans-77.9122.2174.700000111.4
458S36.3Very low36.6Very low118 Ų118136.4 Ų136.483%0.82577%0.773SS**PPolyproline II helixtrans-76.1127.9-178-460000112.7
459K39.3Very low37.1Very low194 Ų194137.6 Ų137.684%0.84377%0.773SS**  trans-142132.9151.5-74.8-162.1176-176.90111.7
460N36Very low37.5Very low157 Ų157137 Ų13784%0.8477%0.771SS**  trans53.9108.1157-59.720.6000118.9
461S30.7Very low38.2Very low100 Ų100135.6 Ų135.670%0.69976%0.764SS**  trans-87.1144.7155168.80000109.9
462T35.8Very low38.9Very low140 Ų140139 Ų13986%0.85978%0.776SS**  trans-133.4151.1149.7-56.30000106.5
463M36.6Very low39.6Very low124 Ų124141.9 Ų141.961%0.61178%0.784SS**  trans-131.9150.8-170.5-69.5-102.5-63.400111.6
464Y35.6Very low40.1Very low206 Ų206143.6 Ų143.681%0.80878%0.784SS**  trans65.7159.3178.1-52.9-72.4000113.5
465V41.8Very low40.7Very low127 Ų127147.3 Ų147.377%0.7780%0.796SS**  cis-127.8161.416.6176.20000110.5
466E37.5Very low40.9Very low181 Ų181148.5 Ų148.585%0.84680%0.795SS**  trans-84.7123.8166.8-62.1180152.500109.5
467E42.8Very low41.1Very low184 Ų184150.4 Ų150.486%0.8680%0.795SS**  trans-165.5179.1154.3-113.2154.7-136.700110.6
468E44.4Very low41.2Very low169 Ų169154.6 Ų154.679%0.7980%0.8SS**  trans-93.9164.8-145.4-63.2167.9131.400116.3
469D46.9Very low41.2Very low140 Ų140152.9 Ų152.975%0.74980%0.801SS**  trans73154.4146.8-64-13.2000124.5
470D44.2Very low41.2Very low134 Ų134152.4 Ų152.472%0.71780%0.802SS**  trans60.4109.6156.1-59.2-7.2000123.7
471D47Very low41Very low136 Ų136150.6 Ų150.673%0.72780%0.802SS**  63.2126121.6-62.2-8.3000124.6
472D49.1Very low41.1Very low150 Ų150148.8 Ų148.880%0.80280%0.798SS**  trans79.7163.6134.3-76-12.6000124.7
473D47.7Very low40.9Very low163 Ų163148.4 Ų148.487%0.87280%0.796SS**  trans75111.4170.5-74.8-25.3000122.3
474D47.2Very low40.6Very low151 Ų151152.8 Ų152.881%0.80781%0.807SS**  trans-64.3137.9164.6-76.8-65.6000112.9
475M47.5Very low40.2Very low188 Ų188149.2 Ų149.293%0.92681%0.807SS**  trans-142.2124146.9-88.6-58.5157.100113
476L42.7Very low39.7Very low146 Ų146150.5 Ų150.576%0.76481%0.808SS**  trans-88.7139172.8-64.1165000110.8
477Q40.2Very low39.4Very low177 Ų177145.2 Ų145.283%0.82780%0.802SS**  -177.5118.9125.7-101.2154.28400115.9
478N35.7Very low38.8Very low161 Ų161143.4 Ų143.486%0.86179%0.792SS**  trans24.3123.2131-52.5-19.8000120.4
479G36.4Very low38.3Very low82 Ų82141.5 Ų141.585%0.84579%0.794SS**  trans-152123.915800000110.8
480E38.8Very low37.6Very low185 Ų185144.1 Ų144.186%0.86480%0.799SS**  trans-95.7151.4-167.8-77.8-169.691.500115.8
481S33.4Very low37.2Very low119 Ų119143.7 Ų143.783%0.83280%0.801SS**  trans73.2132.1152.579.30000119.1
482G31.9Very low36.4Very low61 Ų61146.5 Ų146.563%0.62981%0.807SS**  trans-17660.318000000111.3Y484G482-Y484 PolarHBondContact O-N 2.85Å
483V31.4Very low35.5Very low132 Ų132143.7 Ų143.780%0.880%0.799SS**  trans-77.8107.7-168.9-174.20000111.5
484Y29.5Very low34.6Very low216 Ų216145 Ų14585%0.84780%0.798SS**  trans-117.7115.3170.2-77.1-79.7000111.8G482 L486G482-Y484 PolarHBondContact O-N 2.85Å; Y484-L486 PolarHBondContact O-N 3.2Å
485T29.1Very low33.8Very low132 Ų132145.7 Ų145.781%0.8180%0.801SS**  trans-83.3111.4-179.5-55.50000110.9
486L31.3Very low33.1Very low153 Ų153141.9 Ų141.980%0.80179%0.794SS**  trans-122.8108.7166-85.1167.7000109.9Y484Y484-L486 PolarHBondContact O-N 3.2Å
487G30.4Very low32.8Very low70 Ų70140.4 Ų140.472%0.72279%0.792SS**  trans-83.8131.8-178.900000112.6
488F30.8Very low32.4Very low147 Ų147141.5 Ų141.565%0.64580%0.795SS**  trans-121123.6166.3-79.2-84.4000109.7
489P32.9Very low32.1Very low128 Ų128139.1 Ų139.183%0.83179%0.791SS**  trans-73131.4-178.729.1-33.8000111.6
490K33.4Very low31.9Very low196 Ų196138.6 Ų138.685%0.85278%0.778SS**  trans-13786.4172.6-78.2-174.5175.81780111.3
491T34.9Very low31.5Very low124 Ų124136.6 Ų136.676%0.76177%0.774SS**  trans-170.8116.1151.119.40000109.4
492F29.4Very low31.4Very low195 Ų195138 Ų13886%0.85577%0.771SS**  trans-105.988158.7-104.9-79.9000107.4
493S31.5Very low31.5Very low91 Ų91140.9 Ų140.964%0.63678%0.777SS**  trans-94.6108.8174.6-60.30000109.2N495S493-N495 PolarHBondContact O-N 3.09Å
494F28.1Very low31.5Very low192 Ų192137.2 Ų137.284%0.84277%0.766SS**  trans-74.789.5169.8-93.3-90.8000110
495N31.5Very low31.6Very low164 Ų164134.4 Ų134.488%0.87776%0.764SS**  trans-167.3100154.3-102-25.6000110.7S493S493-N495 PolarHBondContact O-N 3.09Å
496S32.5Very low31.7Very low109 Ų109137.7 Ų137.776%0.76277%0.77SS**  trans-157.3133.6164.5-149.70000109.9
497P35.7Very low31.7Very low114 Ų114135.3 Ų135.374%0.7477%0.766SS**  trans-81.6125-171.631.1-33.9000112.3S499P497-S499 PolarHBondContact O-N 3.09Å
498F31.1Very low31.7Very low200 Ų200137.1 Ų137.188%0.87777%0.768SS**  trans-78.980.3176.1-110.3-78.2000112.4A500F498-A500 HydrophobicContact CD1-CB 4.42Å; F498-A500 PolarHBondContact O-N 3.12Å
499S30Very low31.9Very low111 Ų111135.4 Ų135.478%0.77677%0.774SS**  trans-73.979.2159.3-65.90000110P497 N501P497-S499 PolarHBondContact O-N 3.09Å; S499-N501 VanDerWaalsContact C-N 3.28Å; S499-N501 PolarHBondContact O-N 2.91Å
500A32.3Very low31.9Very low71 Ų71137.7 Ų137.759%0.58777%0.771SS**  trans-74.573.2179.700000112.4F498 L502F498-A500 HydrophobicContact CD1-CB 4.42Å; F498-A500 PolarHBondContact O-N 3.12Å; A500-L502 VanDerWaalsContact C-N 3.28Å; A500-L502 PolarHBondContact O-N 3.19Å
501N30.3Very low32.2Very low143 Ų143134.6 Ų134.677%0.76577%0.771SS**  trans-7779.2170.3-1705.5000110.3S499 T503S499-N501 VanDerWaalsContact C-N 3.28Å; S499-N501 PolarHBondContact O-N 2.91Å; N501-T503 PolarHBondContact O-N 2.91Å
502L31.5Very low32.2Very low148 Ų148134.2 Ų134.278%0.77577%0.774SS**  trans-86.797.2-175.4-113.2163.3000111.2A500A500-L502 VanDerWaalsContact C-N 3.28Å; A500-L502 PolarHBondContact O-N 3.19Å
503T34.2Very low32.6Very low122 Ų122128.3 Ų128.375%0.74877%0.768SS**  trans-118.4141.1166500000109.5N501N501-T503 PolarHBondContact O-N 2.91Å
504G30.8Very low32.9Very low55 Ų55129.7 Ų129.757%0.56777%0.774SS**  trans79.2142-154.700000110.6
505I31.9Very low33Very low157 Ų157128.4 Ų128.481%0.80577%0.773SS**  cis-115.2127.721.3-62.6162.3000110.8S507I505-S507 VanDerWaalsContact CG2-OG 3.29Å; I505-S507 WeakPolarHBondContact CG2-OG 3.48Å
506Q30.9Very low33.3Very low201 Ų201126.6 Ų126.694%0.93977%0.768SS**  trans-89108.1156.6-75.1-172.50.800108.4
507S32.2Very low33.2Very low104 Ų104125.5 Ų125.573%0.72776%0.761SS**  trans-103.8109167.8-72.70000108.9I505 S509I505-S507 VanDerWaalsContact CG2-OG 3.29Å; I505-S507 WeakPolarHBondContact CG2-OG 3.48Å; S507-S509 PolarHBondContact O-N 2.9Å
508S29.9Very low33.1Very low108 Ų108129.4 Ų129.476%0.75577%0.766SS**  trans-70124.9176.554.10000111.5
509S34Very low33.1Very low111 Ų111124.5 Ų124.578%0.77676%0.763SS**  trans-125.9116.1163.952.60000110S507S507-S509 PolarHBondContact O-N 2.9Å
510F32.9Very low33.2Very low176 Ų176122.6 Ų122.677%0.77276%0.76SS**  trans-76.1138.9178.2-68.2-101.1000110.4S512F510-S512 PolarHBondContact O-N 2.91Å
511P41.2Very low33.3Very low130 Ų130126.1 Ų126.184%0.84477%0.768SS**  trans-75.8111.3161.430.7-30.1000109
512S35.1Very low33.5Very low117 Ų117127.3 Ų127.382%0.81877%0.769SS**  trans-121.3103172.9-58.30000109.4F510F510-S512 PolarHBondContact O-N 2.91Å
513G36.3Very low33.5Very low71 Ų71124.9 Ų124.973%0.73276%0.764SS**  trans-147.8140.5176.800000109.1
514P39.5Very low33.4Very low119 Ų119123.7 Ų123.777%0.77376%0.761SS**  trans-100142.1-149.836.2-35.8000116.3
515M30.1Very low33.3Very low165 Ų165128.1 Ų128.181%0.81377%0.771SS**  trans53.9152.7136.5-66.6-171.267.300122.5
516T37.4Very low33.4Very low126 Ų126126 Ų12677%0.77377%0.77SS**  trans70.3146.5170.369.70000116.6
517S30.5Very low33.4Very low87 Ų87125 Ų12561%0.60877%0.765SS**  cis174.1151.4-48.544.30000107.6
518F32.2Very low33.6Very low195 Ų195125.1 Ų125.186%0.85577%0.766SS**  trans67.7123-172.3-58.6-91.5000112.9
519A31.8Very low33.7Very low98 Ų98127.1 Ų127.181%0.8177%0.767SS**  cis94.7121.52200000115
520G32.5Very low33.4Very low70 Ų70125.8 Ų125.872%0.72276%0.758SS**  trans85.2165179.400000114.8
521I33.8Very low33.3Very low145 Ų145123.6 Ų123.674%0.74475%0.754SS**  cis-161.5129.4-12.8-120.1156.4000108.6
522H34.7Very low32.8Very low169 Ų169124.5 Ų124.578%0.78275%0.75SS**  trans60.3-178.5158.5-60.1-171.2000116.4
523S31.4Very low32.9Very low96 Ų96123.7 Ų123.767%0.67174%0.742SS**  -156.8157.7-53.3-85.80000111.3
524S32.5Very low32.7Very low98 Ų98126.3 Ų126.369%0.68574%0.744SS**  trans59.7129.414560.50000124
525N28.7Very low32.5Very low147 Ų147125.4 Ų125.479%0.78674%0.74SS**  trans66.2117.3133.5-59.8-0.9000123
526S34Very low32.7Very low113 Ų113124.4 Ų124.479%0.7974%0.738SS**  179.4138.2102.3-69.60000108.7
527Q31.3Very low32.6Very low179 Ų179125.6 Ų125.684%0.83674%0.739SS**  cis76.989.539.4-71.8-157.2-0.500117
528S35.2Very low32.9Very low107 Ų107124.2 Ų124.275%0.74874%0.739SS**  trans-168.7127.3145.753.10000108.3
529I32.4Very low33.1Very low151 Ų151123.5 Ų123.577%0.77474%0.738SS**  68.1127.256-58.5166.5000111
530S28.5Very low33.3Very low82 Ų82124.2 Ų124.257%0.57373%0.732SS**  cis-173.2178.3-18.9580000109.8
531N30.9Very low33.4Very low131 Ų131128.4 Ų128.470%0.70173%0.733SS**  trans74.3120.4153.5-62.8-11.3000119.6
532I30.2Very low33.2Very low149 Ų149128.9 Ų128.976%0.76473%0.73SS**  75.713975.4-79.6167.5000113
533P37.3Very low33.1Very low100 Ų100126.8 Ų126.865%0.64973%0.729SS**  cis-149.8-154.3-15.941.2-18.1000116.6
534V31.4Very low33Very low125 Ų125128.4 Ų128.476%0.75873%0.726SS**  trans79.6142.8150.1-70.20000125
535S36Very low32.9Very low101 Ų101128.9 Ų128.971%0.70673%0.728SS**  trans70.8142.1162.5-56.60000116.9
536N34.6Very low33.1Very low144 Ų144128.5 Ų128.577%0.7773%0.725SS**  cis-170.4169.9-9.8-107.4-11.2000106.7
537L34.3Very low32.9Very low150 Ų150128.6 Ų128.679%0.78572%0.723SS**  cis-172.2147.4-13.2172.976.6000104.8
538G37.5Very low33.5Very low58 Ų58125.5 Ų125.560%0.59872%0.718SS**  cis159.1164.1-5.700000111.4
539Q36.5Very low33.2Very low181 Ų181128 Ų12885%0.84672%0.723SS**  trans73146.3174.7-48.8-173.910.600116.9
540T35.4Very low33.3Very low112 Ų112131.2 Ų131.269%0.68773%0.727SS**  cis-130.1137.55.239.50000114
541H35.8Very low33.5Very low159 Ų159132 Ų13274%0.73673%0.732SS**  trans37.2147.2141.6-62.3-94.2000124.3
542F28.9Very low33.3Very low154 Ų154133.8 Ų133.868%0.67574%0.742SS**  cis176.6135.1-27.2-122.9-77.9000104.5
543V32.9Very low33.5Very low126 Ų126132.5 Ų132.576%0.76474%0.741SS**  174.7122.581.1168.90000103.9
544Q29.4Very low33.1Very low129 Ų129132.6 Ų132.660%0.60374%0.744SS**  7611750.6-148.2170.8-8.900113.2L546Q544-L546 HydrophobicContact CG-CD1 4.44Å
545C30.3Very low33.1Very low108 Ų108135.8 Ų135.873%0.7375%0.748SS**  -160127.971.7-76.50000110.5
546L31.9Very low32.8Very low139 Ų139135.9 Ų135.973%0.72875%0.749SS**  75.6119.591-75.6159.6000116.9Q544Q544-L546 HydrophobicContact CG-CD1 4.44Å
547P31.4Very low32.8Very low116 Ų116134.7 Ų134.775%0.75375%0.749SS**  trans-99.3156.7168.538.2-32.7000113.2
548P43.6Very low32.8Very low113 Ų113134.1 Ų134.173%0.73475%0.751SS**  trans-95.9132.3172.334.5-30.4000113.4
549N28.7Very low32.5Very low159 Ų159136 Ų13685%0.8576%0.755SS**  trans-107.3108167-96.1-26.1000109.7
550Y33.6Very low32.3Very low220 Ų220136.6 Ų136.686%0.86376%0.758SS**  trans-157145.6167-70.3-71.7000109.1
551S33.5Very low32.1Very low97 Ų97136.4 Ų136.468%0.67876%0.757SS**  cis-165.4162.1-20.242.90000108.8
552N27.5Very low31.8Very low170 Ų170137.1 Ų137.191%0.90977%0.765SS**  trans-64.5135.9177-73.4-30.8000112.2
553V32.9Very low31.8Very low121 Ų121136 Ų13673%0.73377%0.766SS**  trans-133.3124.6151.5-171.30000108.3F555V553-F555 HydrophobicContact CG1-CD2 3.94Å; V553-F555 HydrophobicContact CG1-CE2 3.69Å
554S28.5Very low31.8Very low102 Ų102136.4 Ų136.471%0.71377%0.769SS**  trans-110.2130.5177.6152.60000109.1
555F32.9Very low31.8Very low193 Ų193135.7 Ų135.785%0.84678%0.776SS**  trans-123.1139.5162.1-83.5-79.3000110.4V553V553-F555 HydrophobicContact CG1-CD2 3.94Å; V553-F555 HydrophobicContact CG1-CE2 3.69Å
556S29.6Very low31.9Very low103 Ų103136.6 Ų136.672%0.7278%0.777SS**  trans-83.7157.6-167.9-76.10000113.3
557P35.1Very low32.1Very low119 Ų119136.5 Ų136.577%0.77378%0.777SS**  trans-74.8153.6-179.832-36.6000112.5
558V33.2Very low32Very low137 Ų137139.6 Ų139.683%0.8378%0.781SS**  trans-114.1117.51631760000108.3
559S31.1Very low31.4Very low97 Ų97141.3 Ų141.368%0.67878%0.783SS**  trans-79.7138.4175.1-53.80000111.1
560Q33.3Very low31.6Very low195 Ų195143.6 Ų143.691%0.91178%0.78SS**  trans-119.594151.8-70.6-164.811.300108.7
561T29.8Very low31.3Very low108 Ų108141.6 Ų141.666%0.66378%0.783SS**  trans-79.9123.9169.1490000109.3
562L29.9Very low31.3Very low173 Ų173144.1 Ų144.191%0.90679%0.787SS**  trans-110.596.3157-163.868.9000108.9
563N28Very low31.4Very low132 Ų132146.4 Ų146.471%0.70678%0.783SS**  trans-77.7132.9174.7-66-32.6000110
564T33Very low31.5Very low134 Ų134146.7 Ų146.782%0.82279%0.788SS**  trans-154120.8137.816.30000109.6
565P29.8Very low31.7Very low114 Ų114146.8 Ų146.874%0.7479%0.788SS**  trans-80170.9164.736.7-34.9000110
566V33.5Very low31.9Very low126 Ų126144.8 Ų144.876%0.76479%0.785SS**  trans-170.1125134.8133.70000112.7
567N34.3Very low32.2Very low137 Ų137145.5 Ų145.573%0.73379%0.787SS**  trans48.8122.5148.8-53.6-13.5000122.8
568H29.7Very low32.1Very low181 Ų181147.3 Ų147.384%0.83879%0.785SS**  trans-42.2146.6143-43.2-99.6000113.1
569I32.3Very low32.2Very low149 Ų149146.5 Ų146.576%0.76478%0.783SS**  trans-166.5130.8135.6-105.3153000112.6
570R33.2Very low32.1Very low207 Ų207148.2 Ų148.278%0.78178%0.784SS**  trans34.8103.8152.8-53175.5-171.2-162.70.6119.9I572R570-I572 PolarHBondContact O-N 2.78Å; R570-I572 VanDerWaalsContact O-N 3.15Å
571L26.5Very low32Very low179 Ų179145.6 Ų145.694%0.93778%0.782SS**  27.975.599.6-137.1173.3000116.6
572I33.2Very low31.9Very low149 Ų149144.4 Ų144.476%0.76479%0.791SS**  trans-135.4140.3165.1-61.4-178.9000109.2R570R570-I572 PolarHBondContact O-N 2.78Å; R570-I572 VanDerWaalsContact O-N 3.15Å
573R28.6Very low31.7Very low218 Ų218139.3 Ų139.382%0.82378%0.781SS**  trans-76.4136.7175.5-68.7175.2173.3167.7-4111.3S575R573-S575 PolarHBondContact O-N 3.01Å
574P36.7Very low31.7Very low128 Ų128140 Ų14083%0.83179%0.789SS**  trans-71.8103.7153.830-29.9000108.5
575S31.3Very low31.4Very low104 Ų104140.1 Ų140.173%0.72779%0.789SS**  trans-75.8128.9177.3-63.60000110.7R573R573-S575 PolarHBondContact O-N 3.01Å
576I37.5Very low31.3Very low151 Ų151143 Ų14377%0.77479%0.79SS**  trans-69.4129.7171.7-61.4171.1000108.5Q578I576-Q578 PolarHBondContact O-N 2.72Å; I576-Q578 VanDerWaalsContact O-N 3.16Å
577P36.7Very low30.9Very low118 Ų118143 Ų14377%0.76679%0.79SS**  trans-70.3108.9168.529-32.1000109.5
578Q32.3Very low30.5Very low157 Ų157143 Ų14373%0.73479%0.789SS**  trans-69153.5158.8-70-168.2-16.900109.1I576I576-Q578 PolarHBondContact O-N 2.72Å; I576-Q578 VanDerWaalsContact O-N 3.16Å
579P34.5Very low30.4Very low120 Ų120141.4 Ų141.478%0.77979%0.786SS**  -120.3146.589.235-33.5000114.3
580N29.8Very low30.3Very low132 Ų132138.3 Ų138.371%0.70678%0.783SS**  trans-4.8127.3151.2-50.5-37.8000115.2
581T32Very low30.4Very low141 Ų141134.8 Ų134.887%0.86579%0.787SS**  -149.314257.1-57.30000111.4
582G26.1Very low30.9Very low82 Ų82131.5 Ų131.585%0.84578%0.779SS**  trans-81.1135.9-167.300000115.7
583G27.4Very low31Very low67 Ų67131.8 Ų131.869%0.69178%0.782SS**  trans-129.4128.4162.800000110.1V585G583-V585 PolarHBondContact O-N 3.35Å; G583-V585 VanDerWaalsContact O-N 3.16Å
584V27.7Very low31.1Very low147 Ų147126 Ų12689%0.89178%0.775SS**  trans-81.496.4-173.2-178.70000110.9K586V584-K586 PolarHBondContact O-N 3.34Å
585V27.2Very low31.1Very low135 Ų135125.1 Ų125.182%0.81877%0.77SS**  trans-83.3104.9169.3-178.20000109.2G583G583-V585 PolarHBondContact O-N 3.35Å; G583-V585 VanDerWaalsContact O-N 3.16Å
586K26.2Very low30.9Very low174 Ų174126.4 Ų126.476%0.75777%0.773SS**  trans-82.5115.9176.7-156.7172.1-171.4176.30108.8V584 I588V584-K586 PolarHBondContact O-N 3.34Å; K586-I588 PolarHBondContact O-N 3.3Å
587V25.2Very low30.5Very low127 Ų127129.1 Ų129.177%0.7777%0.773SS**  trans-66.2118.9177.7-179.60000109.2
588I26.9Very low30Very low136 Ų136130.2 Ų130.270%0.69777%0.771SS**  trans-124115.2173.8-59.7174.5000106.7K586 A590K586-I588 PolarHBondContact O-N 3.3Å; I588-A590 PolarHBondContact O-N 3.41Å
589N27.5Very low29.7Very low148 Ų148129.4 Ų129.479%0.79177%0.77SS**  trans-70.4109.8171.4-76.39.6000108.8
590A30Very low29.4Very low84 Ų84128.3 Ų128.369%0.69477%0.765SS**  trans-96.2116.9170.400000109.6I588I588-A590 PolarHBondContact O-N 3.41Å
591P35.4Very low29.3Very low133 Ų133128.3 Ų128.386%0.86477%0.769SS**  trans-80116.2168.731.2-30.2000109.2
592S37.2Very low29Very low110 Ų110129.4 Ų129.477%0.76977%0.766SS**  trans-120100177.360.20000111.1
593D35.5Very low29.2Very low155 Ų155132 Ų13283%0.82976%0.761SS**  trans-159.4118.1138-130.1-27.6000112.6
594S30.9Very low29.2Very low98 Ų98134.3 Ų134.369%0.68576%0.763SS**  trans-170.1128.1162-175.70000107.7V596S594-V596 PolarHBondContact O-N 3.42Å; S594-V596 VanDerWaalsContact O-N 3.09Å
595P35.9Very low29.4Very low109 Ų109134.1 Ų134.171%0.70876%0.757SS**  trans-71.6108.6-172.327.2-34.1000111.7R597P595-R597 PolarHBondContact O-N 2.83Å
596V28Very low29.6Very low131 Ų131133.8 Ų133.879%0.79476%0.761SS**  trans-64.299.3173.8179.90000109.7S594 I598S594-V596 PolarHBondContact O-N 3.42Å; S594-V596 VanDerWaalsContact O-N 3.09Å; V596-I598 HydrophobicContact CG1-CG1 4.28Å; V596-I598 PolarHBondContact O-N 3.17Å; V596-I598 VanDerWaalsContact O-N 3.12Å
597R27.2Very low30Very low207 Ų207130.5 Ų130.578%0.78176%0.76SS**  trans-73.2100.3168.5-59.1-168.1-146.8-127.48.1108.9P595 I599P595-R597 PolarHBondContact O-N 2.83Å; R597-I599 PolarHBondContact O-N 3.13Å
598I26.3Very low30.4Very low141 Ų141134 Ų13472%0.72377%0.765SS**  trans-68.9102.2168.3-56.9177.7000107.6V596 C600V596-I598 HydrophobicContact CG1-CG1 4.28Å; V596-I598 PolarHBondContact O-N 3.17Å; V596-I598 VanDerWaalsContact O-N 3.12Å; I598-C600 PolarHBondContact O-N 3.26Å; I598-C600 VanDerWaalsContact O-N 3.09Å
599I27.7Very low30.7Very low140 Ų140134.6 Ų134.672%0.71878%0.775SS**  trans-81.686.4175.6-54.9-179.3000108.5R597 V601R597-I599 PolarHBondContact O-N 3.13Å; I599-V601 HydrophobicContact CG2-CG2 3.93Å; I599-V601 PolarHBondContact O-N 3.36Å; I599-V601 VanDerWaalsContact O-N 3.09Å
600C26.8Very low30.9Very low98 Ų98131.6 Ų131.666%0.66277%0.771SS**  trans-71.395165.6-680000109.4I598 M602I598-C600 PolarHBondContact O-N 3.26Å; I598-C600 VanDerWaalsContact O-N 3.09Å; C600-M602 PolarHBondContact O-N 3.1Å; C600-M602 VanDerWaalsContact O-N 3.17Å
601V28.2Very low31.2Very low132 Ų132133.8 Ų133.880%0.878%0.778SS**  trans-73.1103.5168.3-1760000108.1I599I599-V601 HydrophobicContact CG2-CG2 3.93Å; I599-V601 PolarHBondContact O-N 3.36Å; I599-V601 VanDerWaalsContact O-N 3.09Å
602M26.8Very low31Very low164 Ų164135.1 Ų135.181%0.80878%0.778SS**  trans-102.5120.6171.7-69.5-175.76800109.7C600C600-M602 PolarHBondContact O-N 3.1Å; C600-M602 VanDerWaalsContact O-N 3.17Å
603D28.8Very low30.7Very low136 Ų136134.2 Ų134.273%0.72778%0.777SS**  trans-72119.9179-168.3-17.5000110.5N605D603-N605 VanDerWaalsContact C-N 3.26Å; D603-N605 PolarHBondContact O-N 3.4Å
604P28.7Very low30.4Very low115 Ų115131.4 Ų131.475%0.74778%0.776SS**  trans-8451.1-169.535.3-37.8000113.8
605N30.8Very low30.6Very low143 Ų143133.8 Ų133.877%0.76578%0.78SS**  trans-147.779.5177.5-82.9-63.2000114.9D603D603-N605 VanDerWaalsContact C-N 3.26Å; D603-N605 PolarHBondContact O-N 3.4Å
606S32.7Very low30.4Very low129 Ų129136.4 Ų136.490%0.90278%0.783SS**  trans177.2146.6141.3-173.40000110.7
607S34.3Very low30.6Very low104 Ų104136 Ų13673%0.72779%0.785SS**  trans-118127-176.158.90000113.6
608K33.2Very low30.9Very low201 Ų201129.3 Ų129.387%0.87478%0.781SS**  trans39.5114.9155.6-66.2-177.9176.7179.90118.8
609T33.4Very low31.4Very low149 Ų149132.6 Ų132.691%0.91479%0.79SS**  -150.7149.6119.6-250000110.1
610A30.8Very low31.7Very low84 Ų84131.7 Ų131.769%0.69479%0.793SS**  trans-102.5160.6163.900000109
611P37.3Very low32Very low130 Ų130132 Ų13284%0.84480%0.796SS**  -139.2172119.638.2-27.5000113.7
612N30.8Very low32.1Very low162 Ų162132.3 Ų132.387%0.86679%0.793SS**  trans-94.9165.4174.4-110.4-33.6000111.7
613A31.4Very low32.4Very low91 Ų91131 Ų13175%0.75279%0.788SS**  trans72107.2154.200000120.9
614A29.6Very low32.5Very low96 Ų96131.4 Ų131.479%0.79379%0.79SS**  88.7161.9123.100000121.8
615L33.2Very low32.6Very low147 Ų147133.3 Ų133.377%0.7779%0.791SS**  trans75.596168.2-63.9171.6000120.1
616Q32.8Very low32.8Very low165 Ų165130.2 Ų130.277%0.77178%0.781SS**  49.7119.6124.3-62.4-176.113.700121.7
617S32.2Very low32.8Very low122 Ų122133.6 Ų133.685%0.85378%0.782SS**  trans71.6165.6138.381.40000119.7
618G33.6Very low32.6Very low66 Ų66131.8 Ų131.868%0.6878%0.78SS**  129.3-2.9118.400000120.6
619K36.6Very low32.7Very low210 Ų210129 Ų12991%0.91377%0.77SS**  trans68.3165.3178.9-82.6-177.4167.6-179.60115.9
620P34.8Very low32.5Very low121 Ų121128.5 Ų128.579%0.78676%0.762SS**  trans-122.1161.9-157.441.4-29.4000115.4
621S32.4Very low32.5Very low104 Ų104128.1 Ų128.173%0.72775%0.751SS**  trans-158.3126.9145.453.90000113.2
622N30.2Very low32.1Very low140 Ų140129.9 Ų129.975%0.74975%0.748SS**  trans61.4124.9132.6-70.6-10.4000123.4
623I32.5Very low31.9Very low136 Ų136125.5 Ų125.570%0.69773%0.73SS**  86.1101.7122.7-67.2172.6000118.3
624N30.3Very low31.7Very low144 Ų144127.6 Ų127.677%0.7772%0.724SS**  trans89140.8130.9-91.9-12.8000124
625M32.8Very low31.7Very low155 Ų155128.8 Ų128.876%0.76472%0.717SS**  trans79.9100.8135.5-69.5-87.7-84.900120.2
626S33.2Very low31.5Very low79 Ų79125.7 Ų125.755%0.55271%0.705SS**  78.5120.411869.60000121
627Q32.6Very low31.4Very low200 Ų200123.4 Ų123.494%0.93570%0.698SS**  trans63140.1134.6-59172.87.400118.6
628G31.9Very low31.5Very low66 Ų66125.9 Ų125.968%0.6870%0.696SS**  cis148.9161.7-1.700000112.1
629Q34.5Very low31.3Very low143 Ų143126 Ų12667%0.66870%0.697SS**  trans74.1131.1-174.1-47.6-173.71.900113.2
630N29.2Very low31.1Very low137 Ų137124.4 Ų124.473%0.73370%0.697SS**  59.1119.858.3-62.9-11.9000111R785N630-R785 PolarHBondContact O-NH1 3.11Å
631T30.1Very low31.1Very low77 Ų77122.8 Ų122.847%0.47269%0.689SS.*  -170.3146.660.443.90000112.5R785T631-R785 WeakPolarHBondContact OG1-CD 3.32Å
632Q29.2Very low31.2Very low167 Ų167123.8 Ų123.878%0.7869%0.686SS**  trans46.5147.4135.7-61.3174.7-67.400124.2
633S27.4Very low31.5Very low69 Ų69123.2 Ų123.248%0.48368%0.683SS.*  trans85.7142.5131.853.40000124.4S783S633-S783 PolarHBondContact O-N 3.15Å
634E27.6Very low31.6Very low136 Ų136124.8 Ų124.864%0.63669%0.685SS**  trans77.1113.2143.6-78.7161.3-160.500122.2V781 Q782 S783E634-V781 CarbonylContact C-O 3.26Å; E634-V781 CarbonylContact O-C 2.87Å; E634-Q782 CarbonylContact O-C 3.38Å; E634-Q782 WeakPolarHBondContact O-CA 3.36Å; E634-Q782 PolarHBondContact O-N 3.37Å; E634-S783 PolarHBondContact O-N 2.68Å; E634-S783 VanDerWaalsContact O-N 3.15Å
635N28.5Very low31.8Very low121 Ų121121.7 Ų121.765%0.64768%0.675SS**  trans39.1130.8130.7-47.8-16000120.3V781 Q782N635-V781 CarbonylContact C-O 3.59Å; N635-V781 WeakPolarHBondContact CA-O 3.04Å; N635-V781 PolarHBondContact N-O 3.05Å; N635-Q782 PolarHBondContact O-N 2.83Å
636T30.4Very low32Very low82 Ų82122.3 Ų122.350%0.50368%0.676SS.*  165.5110.397.9-62.60000113.4V781T636-V781 PolarHBondContact N-O 3.38Å
637N30Very low32.1Very low116 Ų116123.1 Ų123.162%0.6268%0.681SS**  trans47.5161141.2-49.9-6000125.5
638H33.1Very low32.3Very low175 Ų175117.4 Ų117.481%0.8166%0.664SS**  trans74.492.7149.9-55.2-50.6000121.1
639G29.3Very low32.5Very low69 Ų69121.4 Ų121.471%0.71166%0.664SS**  106.7147.691.100000119.9
640L34.4Very low32.5Very low176 Ų176122.9 Ų122.992%0.92167%0.669SS**  trans70.9144.1165.9-50.7179.7000117.2
641S34.6Very low33Very low86 Ų86121.8 Ų121.860%0.60167%0.668SS**  cis-166.2169.7-18.956.60000112.5
642N34.6Very low33Very low125 Ų125128.1 Ų128.167%0.66868%0.684SS**  trans74.5106.3148.4-66-9.4000122.7
643N34.8Very low33.6Very low128 Ų128125.2 Ų125.268%0.68468%0.68SS**  66.5145.4110.8-55.8-12.1000119.8
644F35.1Very low33.7Very low170 Ų170128.7 Ų128.775%0.74669%0.691SS**  cis-169.1155.410.3-134.8-141.1000111.4
645S35.1Very low33.8Very low79 Ų79127 Ų12755%0.55269%0.694SS**  trans53.3156142.3-66.10000122.8
646Q36.9Very low34.1Very low168 Ų168127.2 Ų127.279%0.78570%0.7SS**  cis-171167.1-13.6-105.2168.7-102.400105.9
647S35.7Very low34.2Very low95 Ų95128.5 Ų128.566%0.66471%0.708SS**  cis-158-157.1-11.442.80000106
648S35.8Very low34.5Very low81 Ų81130 Ų13057%0.56672%0.716SS**  cis-157.5164.411.9-47.70000110.9
649E36.8Very low34.2Very low150 Ų150125.9 Ų125.970%0.70171%0.713SS**  trans51.4143.2130.6-65.1163.8169.100121.4
650F34.7Very low34.5Very low173 Ų173131.5 Ų131.576%0.75972%0.72SS**  cis-165.2167.20.2-101.9-36.5000107.1
651T38Very low34.1Very low115 Ų115129.5 Ų129.571%0.70671%0.71SS**  cis-165-169.2-14.4-169.90000109.3
652Y30.3Very low33.7Very low210 Ų210131.8 Ų131.882%0.82472%0.715SS**  trans-125.1-148.4174.6-57.9-102.5000109.8
653P41.7Very low33.5Very low105 Ų105131.4 Ų131.468%0.68272%0.722SS**  cis-136.1-159.9-27.422.54.8000114
654I30.6Very low33.4Very low142 Ų142130.5 Ų130.573%0.72872%0.723SS**  trans102.499.9147.4-56-174.6000121.4
655S29.5Very low33.1Very low100 Ų100130.4 Ų130.470%0.69973%0.725SS**  63.1166.9124.1-51.50000126.6
656T35.1Very low32.7Very low126 Ų126134 Ų13477%0.77373%0.733SS**  trans72.4140.5157.938.80000119.6
657T32.7Very low32.2Very low110 Ų110131.9 Ų131.968%0.67573%0.731SS**  cis-161.4-175.5-22.12.70000110.2
658D34.9Very low31.9Very low146 Ų146132.1 Ų132.178%0.78174%0.739SS**  trans71.7123.5163.6-49.5-41.1000117.7
659A28.8Very low31.5Very low90 Ų90132.7 Ų132.774%0.74474%0.743SS**  cis93100.213.900000117.4
660Q34Very low31.3Very low186 Ų186132.9 Ų132.987%0.86975%0.747SS**  trans-176.5173.5133.8-83.4-124.93.300109.2
661L26.8Very low31.4Very low135 Ų135129.4 Ų129.471%0.70774%0.742SS**  -167.1161.5-56.8-167.263.9000106.8
662L25.8Very low31.1Very low133 Ų133129 Ų12970%0.69674%0.744SS**  trans-34.3143.6178.8-73.366000117.1
663S30.2Very low31.3Very low117 Ų117128.5 Ų128.582%0.81875%0.749SS**  -179.5148113.9420000113.9
664P33.3Very low30.7Very low109 Ų109128.7 Ų128.771%0.70875%0.753SS**  trans-111.4145.3166.737.2-28.4000112.5
665Q27.8Very low30.9Very low169 Ų169128.7 Ų128.779%0.7976%0.759SS**  trans-179.6144.2139.7-105163.6-112.200115.9
666Q27.6Very low31Very low154 Ų154129.5 Ų129.572%0.7276%0.762SS**  trans60.2112141-74.3166.9-41.600124.1
667V25.6Very low30.6Very low124 Ų124129.3 Ų129.375%0.75277%0.766SS**  53.5107.9116.1-176.70000119.1
668A30.7Very low30.5Very low100 Ų100133.2 Ų133.283%0.82677%0.773SS**  trans-147.190.7139.400000111.6
669S27.3Very low30.1Very low93 Ų93132.2 Ų132.265%0.6577%0.772SS**  trans-7.9149.3131.2-49.40000115.7
670I32.1Very low30.1Very low153 Ų153133 Ų13379%0.78577%0.767SS**  cis177.8167.924.7-123.3169000107.2
671P37Very low29.7Very low100 Ų100130.6 Ų130.665%0.64976%0.761SS**  cis-136.6-177.1-21.743.2-26.2000115.1
672S30.7Very low29.8Very low107 Ų107128.7 Ų128.775%0.74876%0.759SS**  trans33.9127.3139.3-58.70000123.3
673E34.4Very low29.8Very low200 Ų200127.5 Ų127.594%0.93576%0.761SS**  -146.7166.188.4-128.8-179.8-167.500111.8
674S30.1Very low29.9Very low108 Ų108128.8 Ų128.876%0.75576%0.758SS**  trans-145.4131.1-157.256.90000116.2
675V34.5Very low29.5Very low143 Ų143128.4 Ų128.487%0.86776%0.755SS**  trans-140.8136.9169.7-1780000108.7
676P32.1Very low29.6Very low117 Ų117127.5 Ų127.576%0.7675%0.754SS**  trans-92.6149.5-159.834.7-37.1000116K678P676-K678 PolarHBondContact O-N 3.43Å
677S27.1Very low29.7Very low121 Ų121127.6 Ų127.685%0.84676%0.759SS**  trans-64114.6172.2-500000112.6V679S677-V679 PolarHBondContact O-N 2.8Å
678K29.2Very low30Very low192 Ų192132 Ų13284%0.83576%0.762SS**  trans-80.9108.9160.7-86.4-172.7174.6179.10109.9P676 V680P676-K678 PolarHBondContact O-N 3.43Å; K678-V680 HydrophobicContact CB-CG2 4.08Å; K678-V680 PolarHBondContact O-N 2.92Å
679V27.8Very low30.3Very low125 Ų125132.6 Ų132.676%0.75876%0.757SS**  trans-69.697.2160.5178.90000107.7S677 N681S677-V679 PolarHBondContact O-N 2.8Å; V679-N681 PolarHBondContact O-N 3.39Å
680V27.9Very low30.3Very low106 Ų106138 Ų13864%0.64277%0.769SS**  trans-86.993.6175.2-177.50000108.8K678 S682K678-V680 HydrophobicContact CB-CG2 4.08Å; K678-V680 PolarHBondContact O-N 2.92Å; V680-S682 VanDerWaalsContact C-N 3.3Å; V680-S682 PolarHBondContact O-N 2.92Å
681N26.9Very low30.5Very low136 Ų136138 Ų13873%0.72777%0.77SS**  trans-65.695.1158.2-73.1-18000107.6V679 S683V679-N681 PolarHBondContact O-N 3.39Å; N681-S683 PolarHBondContact O-N 3Å
682S27.3Very low30.1Very low95 Ų95141.4 Ų141.466%0.66478%0.783SS**  trans-75.664.5-178.147.10000112.1V680 I684V680-S682 VanDerWaalsContact C-N 3.3Å; V680-S682 PolarHBondContact O-N 2.92Å; S682-I684 VanDerWaalsContact C-N 3.29Å; S682-I684 PolarHBondContact O-N 2.79Å
683S27.1Very low30.5Very low108 Ų108141.5 Ų141.576%0.75578%0.783SS**  trans-61.990.4164.9-64.50000109.4N681N681-S683 PolarHBondContact O-N 3Å
684I30.7Very low30.3Very low145 Ų145137 Ų13774%0.74477%0.774SS**  trans-58.2122.7-179.7-61.8178.9000108.7S682 I686S682-I684 VanDerWaalsContact C-N 3.29Å; S682-I684 PolarHBondContact O-N 2.79Å; I684-I686 PolarHBondContact O-N 2.73Å
685P26.3Very low30.6Very low101 Ų101138.1 Ų138.166%0.65677%0.772SS**  trans-70.4116.5-179.727.9-33.2000109.6L687P685-L687 VanDerWaalsContact C-N 3.28Å; P685-L687 PolarHBondContact O-N 3.43Å
686I29.9Very low30.8Very low149 Ų149136.1 Ų136.176%0.76476%0.762SS**  trans-71.188.5173.6-56.1178.2000108.6I684 R688I684-I686 PolarHBondContact O-N 2.73Å; I686-R688 VanDerWaalsContact C-N 3.26Å; I686-R688 HydrophobicContact CG2-CG 4.05Å; I686-R688 PolarHBondContact O-N 3.07Å
687L28.8Very low30.9Very low157 Ų157137.5 Ų137.582%0.82276%0.761SS**  trans-64.885.1167.3-76.5170.4000109.3P685 P689P685-L687 VanDerWaalsContact C-N 3.28Å; P685-L687 PolarHBondContact O-N 3.43Å; L687-P689 VanDerWaalsContact O-CD 3.23Å; L687-P689 WeakPolarHBondContact O-CD 3.22Å
688R31.6Very low31.2Very low217 Ų217136.6 Ų136.682%0.81975%0.751SS**  trans-64.7118175.1-68.5-179.1178.1163.2-0.7110.2I686 K690I686-R688 VanDerWaalsContact C-N 3.26Å; I686-R688 HydrophobicContact CG2-CG 4.05Å; I686-R688 PolarHBondContact O-N 3.07Å; R688-K690 PolarHBondContact O-N 2.82Å
689P37.5Very low31.5Very low111 Ų111133.2 Ų133.272%0.72175%0.75SS**  trans-66.5131.8164.5-13.930.4000108.9L687 L691L687-P689 VanDerWaalsContact O-CD 3.23Å; L687-P689 WeakPolarHBondContact O-CD 3.22Å; P689-L691 HydrophobicContact CB-CD1 4.47Å; P689-L691 PolarHBondContact O-N 3.14Å; P689-L691 VanDerWaalsContact O-N 3.12Å
690K27.9Very low31.7Very low207 Ų207134.4 Ų134.490%0.975%0.75SS**  trans-7596.7170.4-75.4-179176.6176.80109.4R688R688-K690 PolarHBondContact O-N 2.82Å
691L35.5Very low32Very low152 Ų152133 Ų13380%0.79675%0.75SS**  trans-113.5114.3162.8-101.580.5000110.8P689 S693P689-L691 HydrophobicContact CB-CD1 4.47Å; P689-L691 PolarHBondContact O-N 3.14Å; P689-L691 VanDerWaalsContact O-N 3.12Å; L691-S693 PolarHBondContact O-N 3.31Å
692N29.6Very low32.6Very low173 Ų173132.4 Ų132.493%0.92575%0.753SS**  trans-78.3100.5166-73.5-10.6000109.2
693S38.2Very low33Very low108 Ų108138.9 Ų138.976%0.75576%0.763SS**  trans-160.2130.5158.4-173.10000110.4L691L691-S693 PolarHBondContact O-N 3.31Å
694S31.3Very low33.5Very low106 Ų106139.1 Ų139.174%0.74176%0.763SS**  trans-79.8117.6179.342.80000112.1
695N35.7Very low33.7Very low132 Ų132140.3 Ų140.371%0.70677%0.77SS**  trans-170.7117.7152-93.5-35.9000109.2L697N695-L697 PolarHBondContact O-N 2.96Å
696P39.5Very low34.1Very low101 Ų101146 Ų14666%0.65678%0.779SS**  trans-83.7108.1-179.431.7-32.2000111.8V698P696-V698 HydrophobicContact CB-CG2 4.26Å; P696-V698 PolarHBondContact O-N 2.95Å
697L33.6Very low34.1Very low145 Ų145147.5 Ų147.576%0.75979%0.787SS**  trans-76.5100162.9-70.6176.2000109N695 C699N695-L697 PolarHBondContact O-N 2.96Å; L697-C699 PolarHBondContact O-N 3.18Å; L697-C699 VanDerWaalsContact O-N 3.09Å
698V34Very low34.4Very low103 Ų103146.3 Ų146.362%0.62478%0.78SS**  trans-83.683.4-175.9-173.50000110.7P696 I700P696-V698 HydrophobicContact CB-CG2 4.26Å; P696-V698 PolarHBondContact O-N 2.95Å; V698-I700 HydrophobicContact CG1-CD1 4.39Å; V698-I700 HydrophobicContact CG1-CG1 3.85Å; V698-I700 PolarHBondContact O-N 2.8Å; V698-I700 VanDerWaalsContact O-N 3.14Å
699C34.8Very low34.2Very low120 Ų120144 Ų14481%0.81178%0.779SS**  trans-75.294.5171.6-64.20000110.8L697 A701L697-C699 PolarHBondContact O-N 3.18Å; L697-C699 VanDerWaalsContact O-N 3.09Å; C699-A701 PolarHBondContact O-N 3.4Å; C699-A701 VanDerWaalsContact O-N 3.13Å
700I31.7Very low33.9Very low150 Ų150145.8 Ų145.877%0.76978%0.781SS**  trans-79.791.6174.6-51.6-177.4000109.6V698V698-I700 HydrophobicContact CG1-CD1 4.39Å; V698-I700 HydrophobicContact CG1-CG1 3.85Å; V698-I700 PolarHBondContact O-N 2.8Å; V698-I700 VanDerWaalsContact O-N 3.14Å
701A35Very low33.8Very low76 Ų76142.2 Ų142.263%0.62877%0.771SS**PPolyproline II helixtrans-74.3128167.800000110.4C699 R703C699-A701 PolarHBondContact O-N 3.4Å; C699-A701 VanDerWaalsContact O-N 3.13Å; A701-R703 PolarHBondContact O-N 2.72Å
702P38.6Very low33.5Very low124 Ų124140.7 Ų140.781%0.80577%0.774SS**PPolyproline II helixtrans-63.9120.6168.6-16.930.5000109.4
703R35.8Very low33.7Very low231 Ų231138 Ų13887%0.87276%0.763SS**PPolyproline II helixtrans-78.2129174.6-72.4-175.2176.2177.9-0.8109.8A701A701-R703 PolarHBondContact O-N 2.72Å
704P36.8Very low33.3Very low114 Ų114138.9 Ų138.974%0.7476%0.76SS**PPolyproline II helixtrans-70136.9169.229.3-33.3000110.1R706P704-R706 PolarHBondContact O-N 2.85Å
705N35.3Very low33.2Very low169 Ų169139.9 Ų139.990%0.90476%0.757SS**  trans-68.2104.1177.2-76.9-22.8000110.7
706R36.1Very low33Very low222 Ų222139.7 Ų139.784%0.83876%0.756SS**  trans-85.8113.1161.2-79.2-169.1173.1-163-1.7109.3P704 I708P704-R706 PolarHBondContact O-N 2.85Å; R706-I708 PolarHBondContact O-N 3.22Å
707L29.8Very low32.7Very low180 Ų180141.3 Ų141.394%0.94276%0.757SS**  trans-60.6122159.2-88154.4000108.5
708I33.4Very low32.4Very low132 Ų132139 Ų13968%0.67775%0.753SS**  trans-115.1107169.4-60.5179.1000106.2R706 I710R706-I708 PolarHBondContact O-N 3.22Å; I708-I710 HydrophobicContact CG2-CD1 4.37Å; I708-I710 HydrophobicContact CG2-CG1 3.97Å
709Q27.6Very low32.2Very low168 Ų168141.3 Ų141.379%0.78576%0.757SS**  trans-77.6123175.7-176.4176.4-0.300109.1N711Q709-N711 PolarHBondContact NE2-OD1 3.05Å
710I31.9Very low31.8Very low148 Ų148141.5 Ų141.576%0.75975%0.75SS**  trans-126.2105.2174.8-44.5178000107.5I708I708-I710 HydrophobicContact CG2-CD1 4.37Å; I708-I710 HydrophobicContact CG2-CG1 3.97Å
711N25.3Very low31.7Very low132 Ų132140.7 Ų140.771%0.70675%0.752SS**  trans-79.4129.3173.1-64.6-10.7000109Q709Q709-N711 PolarHBondContact NE2-OD1 3.05Å
712S30.5Very low31.5Very low121 Ų121143 Ų14385%0.84676%0.758SS**  trans-151.7136.4148.8-148.70000111.7
713T32.2Very low30.9Very low115 Ų115142.8 Ų142.871%0.70675%0.754SS**  trans-77.7144.7-16244.60000115.8
714N30.2Very low30.6Very low127 Ų127136.4 Ų136.468%0.67975%0.745SS**  trans74.4119.7134.2-64.21.8000121.6
715N30.2Very low30.2Very low128 Ų128139.8 Ų139.868%0.68475%0.751SS**  77.1141.3126.8-600.9000118.4
716N30.8Very low30Very low127 Ų127136.6 Ų136.668%0.67974%0.74SS**  cis-161167.91.7-127.4-11000114.1
717I32.1Very low29.7Very low135 Ų135133 Ų13369%0.69274%0.742SS**  trans70.499150.8-66.8159.9000117.9
718C28.1Very low29.6Very low98 Ų98131.2 Ų131.266%0.66273%0.732SS**  31.6147105.7-61.50000119.9
719E29Very low29.3Very low151 Ų151131.4 Ų131.471%0.70673%0.734SS**  cis-165.3165.14.6-124.6176.2-123.200113.3
720N27.8Very low29.4Very low124 Ų124128.2 Ų128.266%0.66373%0.731SS**  trans31.1122.3144.3-64.1-31.1000121.2
721T29.7Very low29.3Very low132 Ų132125 Ų12581%0.8172%0.721SS**  173134.997.2-67.20000114.3
722V29.3Very low29.5Very low126 Ų126127.3 Ų127.376%0.76473%0.728SS**  trans-32.2148.9171-154.50000119.3
723T27.6Very low29.6Very low119 Ų119125.3 Ų125.373%0.7371%0.714SS**  trans121.4132.7131.5-20.50000119.9
724S28.5Very low29.5Very low96 Ų96126.4 Ų126.467%0.67172%0.715SS**  trans66.5104.314551.60000123.6
725Q28.1Very low29.4Very low185 Ų185127.5 Ų127.586%0.86472%0.717SS**  69.1160.5125.7-66.1-71.851.400119.6
726P31.7Very low29.4Very low103 Ų103127.5 Ų127.567%0.66972%0.715SS**  trans-112.6159.9-150.741-32.7000115
727V30.3Very low29.2Very low145 Ų145131.3 Ų131.388%0.87972%0.722SS**  trans-132.2148.4162.5179.10000108.6
728I26.3Very low29.1Very low144 Ų144132.4 Ų132.474%0.73873%0.728SS**  trans-107.2164.3-177.2-55.8168.5000108.6
729N28.7Very low29.1Very low136 Ų136132.9 Ų132.973%0.72773%0.732SS**  trans108.5121.3177.2-56.2-13.1000110.3
730S28.5Very low29.6Very low101 Ų101131 Ų13171%0.70673%0.733SS**  68.9142.55392.90000112
731S30.8Very low29.9Very low81 Ų81130.7 Ų130.757%0.56674%0.741SS**  cis-146.8172.119.4-54.10000112.1
732E29.7Very low29.9Very low179 Ų179135.1 Ų135.184%0.83674%0.744SS**  trans64.6159.1146.5-72.9149.2-133.900119.4
733S31.8Very low30.2Very low80 Ų80134 Ų13456%0.55974%0.742SS**  cis-163159.8-29.860.80000109.9
734N30.6Very low30.3Very low138 Ų138135.5 Ų135.574%0.73874%0.744SS**  trans64.4159.5153.4-61.7-37.4000118.2
735Q28.7Very low30.5Very low150 Ų150138.7 Ų138.770%0.70175%0.748SS**  cis-163.8165.8-27.8-102.2-105.356.900107.3
736I29.1Very low30.7Very low128 Ų128137.8 Ų137.866%0.65674%0.744SS**  trans61.4105150.8-69.4160.7000118.2
737Y26.2Very low30.8Very low207 Ų207141.5 Ų141.581%0.81275%0.752SS**  48.2115.2116-108.2-98.1000119.4
738L31.1Very low30.9Very low158 Ų158140.5 Ų140.583%0.82775%0.746SS**  177.6150.5106.6-92.2161000112.3
739S27.3Very low31.6Very low107 Ų107138.5 Ų138.575%0.74874%0.743SS**  trans-121-173.5170.3-30.60000108.1
740P39.4Very low31.7Very low112 Ų112137.9 Ų137.973%0.72774%0.744SS**  cis-127.4-167.3-27.639.7-24.4000110.8
741S33.5Very low32Very low118 Ų118139.6 Ų139.683%0.82575%0.745SS**  trans-176.3157.7140.1-85.70000114.4
742Y30.9Very low31.8Very low225 Ų225143 Ų14388%0.88276%0.756SS**  trans-95.5169.6170.9-68.8-94.6000109.7
743S34.4Very low32Very low103 Ų103142.4 Ų142.472%0.7276%0.757SS**  -166.1142.764.756.50000112.5
744I30.9Very low31.9Very low150 Ų150149.2 Ų149.277%0.76977%0.77SS**  42.9121.5101-51171.3000115.1
745Q33.5Very low32.3Very low162 Ų162148.4 Ų148.476%0.75777%0.773SS**  174.9121.6113.9-162165.521.800115.7
746H32.3Very low32.5Very low166 Ų166146.9 Ų146.977%0.76978%0.778SS**  trans58.8165.8153.3-68.7-144.2000118.5
747Q32.8Very low32.6Very low181 Ų181148.1 Ų148.185%0.84679%0.786SS**  cis-149.7169.818.9-159.2166.68.100112.9
748T33.4Very low32.9Very low124 Ų124144.4 Ų144.476%0.76179%0.79SS**  trans-119.6-165.8-176.660.70000111.3
749P40.7Very low32.8Very low102 Ų102142.7 Ų142.766%0.66279%0.787SS**  cis-138.7-160.9-10.134.4-9.5000115.3
750V31.2Very low33Very low124 Ų124144.3 Ų144.375%0.75279%0.792SS**  trans62152.1157.6-69.90000120.7
751N33.8Very low32.6Very low136 Ų136144.1 Ų144.173%0.72779%0.789SS**  cis-131.1148.72.4-82.3-60.3000109.5
752L27.1Very low32.8Very low153 Ų153146.4 Ų146.480%0.80179%0.79SS**  52116.477.5-145.871.8000114.6
753I34.2Very low32.9Very low167 Ų167141 Ų14186%0.85678%0.776SS**  -166.8169.198-91.3163.3000112.4
754R29.2Very low32.8Very low223 Ų223141 Ų14184%0.84277%0.768SS**  trans-90.3154.5-161.2-166.7-179.3-159.4156.24.9115.2
755P39.5Very low32.8Very low121 Ų121142.7 Ų142.779%0.78677%0.77SS**  trans-86.2161.9173.535.1-37.7000114.5
756S33.2Very low32.8Very low117 Ų117140.4 Ų140.482%0.81877%0.769SS**  trans-156.1145.4169.5550000114.2
757N29.7Very low32.6Very low155 Ų155138.6 Ų138.683%0.82977%0.769SS**  trans-65.5162.8-172.9-40.2-30.5000115.3
758S33.3Very low32.4Very low128 Ų128135.5 Ų135.590%0.89576%0.762SS**  trans-159150.5141.9-84.40000112.4
759T28.3Very low32.3Very low122 Ų122139.2 Ų139.275%0.74877%0.768SS**  trans-118.5143.6-177.5-60.70000110V761T759-V761 HydrophobicContact CG2-CG2 4.24Å
760V31.7Very low31.6Very low141 Ų141138.1 Ų138.186%0.85577%0.768SS**  trans-137.2142.9159.1-177.10000109
761V32.3Very low31.7Very low109 Ų109137.5 Ų137.566%0.66177%0.769SS**  trans-124.1148.4179.8171.90000108T759T759-V761 HydrophobicContact CG2-CG2 4.24Å
762I36.4Very low31.4Very low166 Ų166138 Ų13885%0.85177%0.772SS**  trans179.8153.4150.9-95.7147.1000109.2
763D34.3Very low31.7Very low112 Ų112136.1 Ų136.160%0.59977%0.769SS**  cis-165.2168.8-49.8-156.4-2.3000109.6
764N32Very low31.5Very low102 Ų102134.1 Ų134.155%0.54577%0.765SS.*  trans63.8100.3153.6-74.5-61.2000122.7
765K30.6Very low31.3Very low186 Ų186130.4 Ų130.481%0.80976%0.76SS**  105.6137.7118.7-73.5178.3-179.4-179.60120.7
766P32.3Very low30.7Very low113 Ų113132.3 Ų132.373%0.73476%0.763SS**  trans-97.6166.317740-35.8000113.3
767V29.9Very low30.5Very low128 Ų128132.4 Ų132.478%0.77676%0.758SS**  trans-128.5124.9159.4177.60000109F769V767-F769 HydrophobicContact CG1-CD2 3.92Å; V767-F769 HydrophobicContact CG1-CE2 3.9Å
768V27.5Very low30.5Very low116 Ų116130 Ų13070%0.70375%0.754SS**  trans-95.9136.2170.9172.20000108.4A770V768-A770 HydrophobicContact CG1-CB 4.45Å
769F31.3Very low30.6Very low202 Ų202129.8 Ų129.889%0.88675%0.75SS**  trans-133.2117.9149.5-86.8-72.3000110.1V767V767-F769 HydrophobicContact CG1-CD2 3.92Å; V767-F769 HydrophobicContact CG1-CE2 3.9Å
770A26.4Very low30.7Very low80 Ų80132.3 Ų132.366%0.66175%0.753SS**  trans-114.5136.3175.600000109.5V768V768-A770 HydrophobicContact CG1-CB 4.45Å
771S33.4Very low30.7Very low110 Ų110129.6 Ų129.677%0.76974%0.736SS**  trans167.3158.2158.340.70000108.8
772N27.8Very low30.6Very low147 Ų147131.7 Ų131.779%0.78674%0.739SS**  cis-162.7155.7-45.9-111.8-13.8000105.8
773P32.8Very low30.4Very low113 Ų113127.1 Ų127.173%0.73472%0.722SS**  trans-87.6132-170.732.9-34.1000114.1
774T29.3Very low30.2Very low126 Ų126130.3 Ų130.377%0.77373%0.733SS**  trans-148.4106.8168.2-23.30000106.3
775I26.4Very low30Very low145 Ų145130.4 Ų130.474%0.74473%0.726SS**  51.298.475.7-52.8177.3000112.1
776L26.8Very low30.2Very low160 Ų160127 Ų12784%0.83872%0.723SS**  trans-158104.1148.4-134.870.6000113.1
777T28.2Very low30.1Very low119 Ų119127.7 Ų127.773%0.7372%0.716SS**  trans17.1136.214459.50000122.7
778S30.8Very low30Very low105 Ų105128.3 Ų128.373%0.73471%0.714SS**  trans-68171.4159.7540000115.1
779P34.4Very low30.3Very low124 Ų124128.2 Ų128.281%0.80571%0.714SS**  -128175.8128.337.7-30000114.7
780Q29.5Very low30.3Very low175 Ų175126.4 Ų126.482%0.81871%0.708SS**  trans-104.2-152.3-173-63.4-174.2-72.900113.7
781V32.8Very low30.4Very low84 Ų84133.3 Ų133.351%0.50972%0.717SS.*  trans81.5152.4174.7-171.60000113.2E634 N635 T636E634-V781 CarbonylContact C-O 3.26Å; E634-V781 CarbonylContact O-C 2.87Å; N635-V781 CarbonylContact C-O 3.59Å; N635-V781 WeakPolarHBondContact CA-O 3.04Å; N635-V781 PolarHBondContact N-O 3.05Å; T636-V781 PolarHBondContact N-O 3.38Å
782Q30.3Very low30.4Very low152 Ų152138.6 Ų138.671%0.7173%0.726SS**  -167.7106.2-50.3-177.6164.9-3.100113.9E634 N635E634-Q782 CarbonylContact O-C 3.38Å; E634-Q782 WeakPolarHBondContact O-CA 3.36Å; E634-Q782 PolarHBondContact O-N 3.37Å; N635-Q782 PolarHBondContact O-N 2.83Å
783S31.2Very low30.4Very low71 Ų71136.3 Ų136.350%0.49772%0.722SS.*  trans62.9122.4141.7169.60000121.9S633 E634S633-S783 PolarHBondContact O-N 3.15Å; E634-S783 PolarHBondContact O-N 2.68Å; E634-S783 VanDerWaalsContact O-N 3.15Å
784Q30.8Very low30.4Very low178 Ų178138.1 Ų138.183%0.83273%0.731SS**  -171.2165.1117.1-105.7170.487.500114.5
785R28.1Very low30.3Very low104 Ų104139.4 Ų139.439%0.39273%0.731SS.*  trans-132.9138-172.9172.5-169.5171.7177-6.4113.1N630 T631N630-R785 PolarHBondContact O-NH1 3.11Å; T631-R785 WeakPolarHBondContact OG1-CD 3.32Å
786P33.7Very low30.5Very low115 Ų115137 Ų13775%0.74773%0.733SS**  trans-129.2142.9133.437.5-26.2000110.6
787Q31.5Very low30.8Very low128 Ų128135.4 Ų135.460%0.59873%0.732SS**  52.8129.265-58.1-70.152.100112.2
788L27.8Very low30.8Very low141 Ų141138.4 Ų138.474%0.73874%0.735SS**  cis-164.3166.50.3-174.890.6000107
789V32.2Very low30.9Very low114 Ų114139.3 Ų139.369%0.69174%0.738SS**  trans155.9124.7133162.80000114.2
790Q32.9Very low30.6Very low164 Ų164138.7 Ų138.777%0.76673%0.733SS**  trans23.4122.8149.2-61.3164.3-5.200120.6
791R28.5Very low30.5Very low224 Ų224137.6 Ų137.685%0.84574%0.738SS**  71.1121.367.7-84.3-169.3173.9-176.3-0.5115.8
792F32.7Very low30.1Very low221 Ų221141.7 Ų141.797%0.96975%0.751SS**  -147.2157.2126.8-88.9-66.9000110.1
793S27.6Very low29.9Very low99 Ų99140.2 Ų140.269%0.69276%0.758SS**  trans-154.1139.9-173.254.90000111.1
794V32.6Very low29.6Very low151 Ų151142 Ų14292%0.91577%0.77SS**  trans-114142.6177.7-178.80000110.2
795I27.6Very low29.6Very low154 Ų154138.8 Ų138.879%0.7976%0.762SS**  trans-108.9140.2-169.9-62168000110.1
796A31.2Very low29.6Very low93 Ų93141.9 Ų141.977%0.76979%0.787SS**  trans-132.1143.8160.900000109.4
797P33.1Very low29.9Very low127 Ų127139.2 Ų139.283%0.82576%0.764SS**PPolyproline II helixtrans-88.7148.3-157.133.4-36.6000115.1
798K27.2Very low30.4Very low182 Ų182137.5 Ų137.579%0.79176%0.763SS**PPolyproline II helixtrans-102.4124.3170.9178.7-179.1-179179.70109.5T800K798-T800 PolarHBondContact O-N 2.69Å
799P32.2Very low31.5Very low124 Ų124133.1 Ų133.181%0.80574%0.737SS**PPolyproline II helixtrans-71.8123.9170.128.8-32000109.9
800T28.7Very low32.1Very low112 Ų112130.6 Ų130.669%0.68772%0.721SS**PPolyproline II helixtrans-87.9125-179.2-56.50000111.1K798 Q802K798-T800 PolarHBondContact O-N 2.69Å; T800-Q802 HydrophobicContact CG2-CB 4.42Å
801V28.3Very low32.9Very low152 Ų152126.9 Ų126.992%0.92170%0.704SS**  trans-128.8143.7150.7-178.80000107.2
802Q24.1Very low33.8Very low170 Ų170120 Ų12079%0.79468%0.683SS**  trans-130.8112.7-151.7174.8-177.8-7.500110.5T800T800-Q802 HydrophobicContact CG2-CB 4.42Å
803S25.9Very low34Very low121 Ų121115.8 Ų115.885%0.84667%0.67SS**  trans-149.9122.9159650000109.7
804S25.1Very low34.4Very low109 Ų109115.3 Ų115.376%0.76267%0.665SS**  trans-112.1119.3-177.951.70000109.8
805V31.3Very low34.4Very low109 Ų109118.8 Ų118.866%0.66166%0.661SS**  trans-146.3119.9152.1-142.30000110.1Q807V805-Q807 HydrophobicContact CB-CG 4Å; V805-Q807 HydrophobicContact CG1-CG 3.54Å; V805-Q807 PolarHBondContact O-N 3.14Å
806N26.7Very low34.7Very low169 Ų169116.8 Ų116.890%0.90466%0.658SS**  trans-78.2111.5157.8-77-21.8000106.8
807Q40.2Very low34.9Very low59 Ų59118.7 Ų118.728%0.27666%0.661SS.*  trans-125.5122.9171.5-66.5-16555.400109.6V805 Y809 N1002V805-Q807 HydrophobicContact CB-CG 4Å; V805-Q807 HydrophobicContact CG1-CG 3.54Å; V805-Q807 PolarHBondContact O-N 3.14Å; Q807-Y809 HydrophobicContact CB-CD1 4.43Å; Q807-Y809 HydrophobicContact CB-CD2 4.44Å; Q807-Y809 HydrophobicContact CB-CE1 3.82Å; Q807-Y809 HydrophobicContact CB-CE2 3.86Å; Q807-Y809 PolarHBondContact O-N 2.9Å; Q807-Y809 PolarHBondContact OE1-OH 3.34Å; Q807-N1002 PolarHBondContact OE1-ND2 3.33Å
808T42.3Very low35Very low92 Ų92118.8 Ų118.856%0.56466%0.659SS**  trans-81.5109.7177.4-44.80000108.7Q1003T808-Q1003 VanDerWaalsContact CG2-NE2 3.33Å; T808-Q1003 VanDerWaalsContact O-CG 3.25Å; T808-Q1003 WeakPolarHBondContact O-CG 3.31Å
809Y49.8Very low35.2Very low49 Ų49116 Ų11619%0.19266%0.657CS.*EExtended strand (participates in β ladder)trans-102.9131.6-175.1-71.5-49.1000111.2Q807 V1000 M1009 L1011 Y1032Q807-Y809 HydrophobicContact CB-CD1 4.43Å; Q807-Y809 HydrophobicContact CB-CD2 4.44Å; Q807-Y809 HydrophobicContact CB-CE1 3.82Å; Q807-Y809 HydrophobicContact CB-CE2 3.86Å; Q807-Y809 PolarHBondContact O-N 2.9Å; Q807-Y809 PolarHBondContact OE1-OH 3.34Å; Y809-V1000 HydrophobicContact CD1-CG1 3.47Å; Y809-V1000 VanDerWaalsContact CD1-CG1 3.47Å; Y809-V1000 HydrophobicContact CE1-CG1 4.4Å; Y809-V1000 HydrophobicContact CG-CG1 3.71Å; Y809-M1009 HydrophobicContact CE1-SD 4.02Å; Y809-L1011 HydrophobicContact CD1-CD1 4.03Å; Y809-L1011 HydrophobicContact CD2-CD1 4.09Å; Y809-L1011 HydrophobicContact CE1-CD1 3.72Å; Y809-L1011 HydrophobicContact CE2-CD1 3.77Å; Y809-L1011 HydrophobicContact CG-CD1 4.21Å; Y809-Y1032 HydrophobicContact CD2-CD2 4.12Å; Y809-Y1032 HydrophobicContact CD2-CG 4.02Å
810V45.3Very low35.2Very low62 Ų62115.8 Ų115.838%0.37665%0.654SS.*EExtended strand (participates in β ladder)trans-105.3122.8175.1-169.20000110I812 L1001 Q1003V810-I812 PolarHBondContact O-N 3.07Å; V810-L1001 HydrophobicContact CB-CB 4.47Å; V810-L1001 PolarHBondContact N-O 2.68Å; V810-L1001 PolarHBondContact O-N 3.05Å; V810-L1001 VanDerWaalsContact O-N 3.07Å; V810-Q1003 HydrophobicContact CG2-CG 3.83Å
811Q50.1Low35.4Very low85 Ų85116.9 Ų116.940%0.39766%0.66SS.*EExtended strand (participates in β ladder)trans-71116.8169.2-178.2173.4-8.700108.9L813 E998Q811-L813 PolarHBondContact O-N 3.23Å; Q811-E998 VanDerWaalsContact CD-OE1 3.26Å; Q811-E998 VanDerWaalsContact CG-OE1 3.32Å; Q811-E998 WeakPolarHBondContact CG-OE1 3.43Å; Q811-E998 PolarHBondContact OE1-OE1 2.86Å
812I46.7Very low35.6Very low79 Ų79118.5 Ų118.541%0.40566%0.657SS.*  trans-79.1106.4176.2-66.1162.5000108.8V810 L1001 L1008V810-I812 PolarHBondContact O-N 3.07Å; I812-L1001 HydrophobicContact CD1-CB 3.81Å; I812-L1001 HydrophobicContact CD1-CD1 4.39Å; I812-L1001 HydrophobicContact CG1-CB 4.04Å; I812-L1008 HydrophobicContact CD1-CD2 3.51Å; I812-L1008 HydrophobicContact CD1-CG 4.29Å
813L38.7Very low35.8Very low133 Ų133115.2 Ų115.270%0.69666%0.659SS**  trans-70.8142.2164.4-164.968.5000109.3Q811 R815Q811-L813 PolarHBondContact O-N 3.23Å; L813-R815 PolarHBondContact O-N 2.85Å
814P35.9Very low36.2Very low90 Ų90114.3 Ų114.358%0.58466%0.659SS**  trans-57.2109-178.6-27.736.3000113.2
815R32.5Very low36.6Very low224 Ų224120.6 Ų120.685%0.84567%0.666SS**  trans-75.8125.2177.2-171.2179.6-172.6178.63.3109.6L813 T817L813-R815 PolarHBondContact O-N 2.85Å; R815-T817 PolarHBondContact O-N 3.17Å
816P33.9Very low36.8Very low111 Ų111120.7 Ų120.772%0.72167%0.669SS**  trans-62.7126.8176.225.3-33.4000110.2V818P816-V818 PolarHBondContact O-N 3.45Å
817T34Very low37.6Very low134 Ų134118.1 Ų118.182%0.82266%0.662SS**  trans-74.2106.9-175.1-45.60000110.8R815 T819R815-T817 PolarHBondContact O-N 3.17Å; T817-T819 PolarHBondContact O-N 3.26Å
818V34.9Very low37.2Very low129 Ų129122.7 Ų122.778%0.78269%0.688SS**PPolyproline II helixtrans-72.7119.6170.3-179.20000108.6P816 T820P816-V818 PolarHBondContact O-N 3.45Å; V818-T820 PolarHBondContact O-N 2.57Å
819T31.7Very low36.8Very low124 Ų124126.2 Ų126.276%0.76170%0.703SS**PPolyproline II helixtrans-77118.3174.2-59.30000109.9T817T817-T819 PolarHBondContact O-N 3.26Å
820T32.6Very low36Very low119 Ų119129.7 Ų129.773%0.7373%0.729SS**PPolyproline II helixtrans-66.5135.1177.1-54.40000111.7V818V818-T820 PolarHBondContact O-N 2.57Å
821V32.6Very low35.3Very low134 Ų134132.8 Ų132.881%0.81275%0.747SS**  trans-123.6137.5156.5-179.40000106.7
822Q33.1Very low34.5Very low187 Ų187136.4 Ų136.487%0.87477%0.768SS**  trans-72.5163.6-171-76.8172.3-62.100113.6
823A29.3Very low33.8Very low101 Ų101144.1 Ų144.184%0.83579%0.792SS**  trans-94.3155.9-158.600000115.4
824A33.2Very low33.7Very low102 Ų102143.4 Ų143.484%0.84380%0.795SS**  trans-126.7151.2150.400000108.6
825R34.4Very low33.7Very low240 Ų240146.6 Ų146.691%0.90681%0.807SS**  trans-109.9131.6-159.6171.1179.9167.9-176.3-3.5113.2
826P35.1Very low33.5Very low111 Ų111142.3 Ų142.372%0.72180%0.801SS**  trans-96.9170.2173.538.5-35.3000113.3
827P43.7Very low33.6Very low116 Ų116145.7 Ų145.775%0.75381%0.807SS**  trans-132.911016435.5-18.3000115.5
828N31.4Very low33.6Very low155 Ų155144.1 Ų144.183%0.82980%0.801SS**  trans50.7168.8134.9-71.3-22.7000124.6
829L33.6Very low33.3Very low166 Ų166147.4 Ų147.487%0.86981%0.805SS**  trans84.5136.2169.2-50.1178.4000116.1
830T33.2Very low33.4Very low122 Ų122149.3 Ų149.375%0.74881%0.809SS**  cis-154.9159.1-14.9-82.10000109.9
831V29.7Very low33.3Very low126 Ų126151.3 Ų151.376%0.76481%0.81SS**  trans-71.3148177.6172.40000113.4
832I33.4Very low33.2Very low161 Ų161149.7 Ų149.783%0.82680%0.8SS**  trans-160145144-100.5145.8000111.5
833R33.4Very low33.3Very low242 Ų242147.9 Ų147.991%0.91380%0.796SS**  trans-140.4135165.7-103.4-170176.5-170.10.5107.8
834P36.6Very low33.3Very low118 Ų118148.6 Ų148.677%0.76680%0.795SS**  -147.2-173.3121.527-5.7000111.6
835L35.1Very low33.6Very low157 Ų157149.5 Ų149.582%0.82279%0.792SS**  cis-169.8159.5-41.5-179.460.9000106.8
836N29.5Very low33.4Very low134 Ų134145.4 Ų145.472%0.71779%0.788SS**  trans-55.8153-178.7-66.3-45.2000116.3
837Q35.1Very low33.2Very low181 Ų181146.6 Ų146.685%0.84679%0.788SS**  -175.5146111.9-100.8161.810600118.6
838S34.9Very low32.6Very low101 Ų101146.7 Ų146.771%0.70679%0.787SS**  trans46.1106.5145.963.20000125.4
839K27.7Very low32.5Very low198 Ų198145 Ų14586%0.86178%0.782SS**  46.4115.5105.6-171.2-172-179.6-174.80122
840I33.4Very low32.5Very low165 Ų165146.6 Ų146.685%0.84679%0.785SS**  trans-168.4134.1143.5-87.3138.9000103.8
841H30.4Very low32.2Very low161 Ų161147.5 Ų147.575%0.74579%0.785SS**  cis105.114327.7-163.654000113.9
842V32.1Very low32.4Very low100 Ų100147.8 Ų147.861%0.60679%0.788SS**  trans71.6142.4175.3-94.10000124.1
843D34.2Very low32.4Very low149 Ų149145.7 Ų145.780%0.79778%0.782SS**  trans78.7127.4149.8-57.4-23.5000125.6
844S29.8Very low32.3Very low115 Ų115138.5 Ų138.580%0.80477%0.769SS**  trans-126.9149.5158.2-61.40000107.1
845P39.7Very low32.3Very low122 Ų122142 Ų14279%0.79278%0.775SS**  -151.3135.7111.934.9-17.2000116.8
846N29.3Very low32.1Very low153 Ų153143 Ų14382%0.81878%0.775SS**  43.6149.4121.7-127.5-7.6000124.7
847L31Very low32.2Very low137 Ų137143.1 Ų143.172%0.71778%0.78SS**  trans94.4153.4147.6-113.872.4000124.1
848T31.5Very low31.8Very low118 Ų118138.4 Ų138.472%0.72477%0.773SS**  trans77.982.5160.441.10000122.6
849T28.3Very low31.6Very low120 Ų120140.4 Ų140.474%0.73678%0.78SS**  34.9129.1111.2-41.20000121.7
850Q34.4Very low31.5Very low198 Ų198135.6 Ų135.693%0.92577%0.772SS**  trans-148.3157.3141.5-113.4177.546.200112.1
851N27.1Very low31.4Very low141 Ų141135.7 Ų135.775%0.75477%0.774SS**  trans-109.2-177.3-168-89.9-23.8000113.2
852T34.1Very low31.1Very low133 Ų133132.6 Ų132.682%0.81678%0.776SS**  trans110.4145.5155.169.60000117.4
853T32.8Very low31Very low116 Ų116134.1 Ų134.171%0.71279%0.789SS**  cis-166145.7-20.7-92.90000111
854S30.6Very low30.6Very low91 Ų91131.1 Ų131.164%0.63679%0.786SS**  trans66.5129.7160.4-72.90000121.7
855H36.7Very low30.7Very low192 Ų192133.3 Ų133.389%0.88979%0.788SS**  -156.8165.587.1-96.7-77.7000110.9
856Q30.9Very low30.1Very low179 Ų179134.9 Ų134.984%0.83679%0.79SS**  trans-117.8-179.1-165.6-75.4-173.7-2800113.8
857V31.3Very low30.3Very low135 Ų135134.6 Ų134.682%0.81879%0.794SS**  trans90.8136.5159.3-169.60000115.7
858A27.1Very low30.1Very low83 Ų83133.6 Ų133.669%0.68679%0.793SS**  cis170.7177.2-49.100000109.3
859V30.7Very low30.1Very low142 Ų142131.7 Ų131.786%0.86180%0.797SS**  trans85.4132.6166.6-168.90000116.6
860S27.1Very low30Very low98 Ų98132.6 Ų132.669%0.68580%0.796SS**  trans-102.2158-174.7-43.30000111.9
861N29.7Very low29.9Very low167 Ų167128.9 Ų128.989%0.89379%0.792SS**  178162110.6-93.4-12.3000113.1
862A25.3Very low29.8Very low95 Ų95129 Ų12979%0.78579%0.793SS**  trans-94.6157.8177.600000112.2
863C29.4Very low29.6Very low132 Ų132130.9 Ų130.989%0.89280%0.797SS**  trans-160.5132.3141.3-127.40000110.1
864A26.6Very low29.3Very low87 Ų87132 Ų13272%0.71980%0.799SS**  trans-94.7159.116800000110
865N31.5Very low29.1Very low161 Ų161134.3 Ų134.386%0.86180%0.802SS**  trans-159.6133.5153.7-98.6-36.6000111.1
866N25.9Very low28.7Very low154 Ų154130.3 Ų130.382%0.82480%0.796SS**  trans-91.3148.1168.8-72.2-58.9000109.6
867V33.5Very low28.6Very low148 Ų148129.5 Ų129.590%0.89780%0.797SS**  trans-131.7125.8154.9-178.30000108.6
868T27.5Very low28.7Very low115 Ų115128.8 Ų128.871%0.70680%0.796SS**  trans-102.1137-177.4-45.40000109.8I870T868-I870 HydrophobicContact CG2-CD1 4.14Å; T868-I870 HydrophobicContact CG2-CG1 4.02Å
869G31.1Very low28.8Very low79 Ų79129.9 Ų129.981%0.81480%0.797SS**  trans-136.2113.7171.100000110.7
870I26.6Very low28.6Very low139 Ų139130 Ų13071%0.71379%0.793SS**  trans-124.9129.4179.8-52.2173.7000108.6T868T868-I870 HydrophobicContact CG2-CD1 4.14Å; T868-I870 HydrophobicContact CG2-CG1 4.02Å
871S32.6Very low28.8Very low119 Ų119133.7 Ų133.783%0.83280%0.803SS**  trans-144.3115.7164.755.20000109.7
872N24.3Very low28.7Very low144 Ų144130.6 Ų130.677%0.7779%0.794SS**  trans-83.1151.8175.7-60.5-40000110.6
873L30.7Very low28.9Very low173 Ų173131.9 Ų131.991%0.90680%0.795SS**  trans-166.176.2148.3-108.3169.9000114.1
874N25.2Very low29Very low140 Ų140132 Ų13275%0.74979%0.791SS**  38.3142.1128.1-137.910.7000124.6
875I26.4Very low29Very low138 Ų138132.9 Ų132.971%0.70879%0.792SS**  trans63.8115.7157.6-27.5-176.7000121.2
876S28.4Very low28.9Very low109 Ų109132.7 Ų132.776%0.76279%0.789SS**  168.3129.3113.7-71.50000114.5
877N29.6Very low28.9Very low161 Ų161131.3 Ų131.386%0.86179%0.787SS**  trans-95.7165.9167.3-66.8-10.5000110.4
878P34.4Very low28.8Very low121 Ų121130.9 Ų130.979%0.78678%0.784SS**  -150156.394.537.7-20000118.1
879C27.5Very low28.9Very low106 Ų106131.1 Ų131.172%0.71679%0.791SS**  trans25.9116.5152.4-62.60000124.1
880D27.4Very low29Very low145 Ų145135.1 Ų135.178%0.77579%0.793SS**  45.1119109.2-52-47.5000122.7
881I30.8Very low29.3Very low175 Ų175134 Ų13490%0.89779%0.794SS**  trans-136.4135.6137.7-59.9-176.7000108.4
882S28.1Very low29.1Very low101 Ų101135.2 Ų135.271%0.70679%0.792SS**PPolyproline II helixtrans-82.8149.4-167.1-45.50000115.6
883P29.5Very low29.5Very low123 Ų123138.9 Ų138.980%0.79980%0.796SS**PPolyproline II helixtrans-77.3139.9164.132.7-33.1000111.4
884V30.3Very low29.4Very low133 Ų133137.6 Ų137.681%0.80679%0.79SS**PPolyproline II helixtrans-82.7121.1179.6176.10000111.1I886V884-I886 HydrophobicContact CG1-CG1 4.38Å
885S26.9Very low29.8Very low107 Ų107139 Ų13975%0.74880%0.796SS**PPolyproline II helixtrans-82.1128.8167.3-64.50000110.8
886I29.3Very low30Very low156 Ų156140 Ų14080%0.880%0.798SS**  trans-108113.6166.9-60.3179.5000108.3V884V884-I886 HydrophobicContact CG1-CG1 4.38Å
887T27.5Very low30Very low126 Ų126142.8 Ų142.877%0.77380%0.803SS**  trans-103133.1176.547.70000110.5
888T31.4Very low30.1Very low138 Ų138138.9 Ų138.985%0.84779%0.793SS**  trans-135.6126.1163.2490000108.5
889S29.2Very low29.9Very low120 Ų120141.3 Ų141.384%0.83979%0.794SS**  trans-90.9156.1-164.945.40000114.2
890L32.3Very low30.1Very low163 Ų163143.1 Ų143.185%0.85380%0.802SS**  trans-120.6143.1157-82.1157.3000107.6
891P33.4Very low30.2Very low115 Ų115140.2 Ų140.275%0.74779%0.793SS**  trans-83139.8-17031.9-34.8000113.1
892N28.8Very low30.1Very low146 Ų146138.6 Ų138.678%0.78179%0.786SS**  trans-74.2147.7171.5-70.5-14.4000111.8
893Y32.4Very low30Very low220 Ų220139.2 Ų139.286%0.86379%0.786SS**  trans-131.9110.7153.5-100-81.6000108.6
894N28.1Very low29.9Very low146 Ų146141.8 Ų141.878%0.78179%0.789SS**  trans-92.7135.6167.3-77.43.5000109.3
895I34Very low29.8Very low171 Ų171141.7 Ų141.788%0.87779%0.789SS**  trans-128.8132.4151.6-65.1178.4000106
896H29.9Very low30.1Very low158 Ų158141.7 Ų141.773%0.73179%0.787SS**  trans-133.9118.4-172.7169.4-147.8000108.9
897L29.9Very low30Very low167 Ų167140.9 Ų140.987%0.87478%0.784SS**  trans-175.3138.6163.8-131.365000108.2
898A31.8Very low30Very low80 Ų80141.9 Ų141.966%0.66178%0.779SS**  cis-154.8161.8-29.100000107.8
899E29.3Very low29.8Very low171 Ų171140.3 Ų140.380%0.79977%0.77SS**  trans-77.5152.4-177.5-57.6173.5127.300112.8
900T32.3Very low29.6Very low144 Ų144141.5 Ų141.588%0.88377%0.767SS**  trans-153.498.1138.3-70000111.6
901S29.2Very low29.4Very low84 Ų84140.2 Ų140.259%0.58776%0.76SS**  trans-29.7139.8158.5-28.50000113.5
902N28.3Very low29.1Very low142 Ų142140.9 Ų140.976%0.75976%0.756SS**  177.4138.980.6-91.6-37.7000113.3
903T26Very low29.3Very low114 Ų114141.7 Ų141.770%0.69976%0.755SS**  67.6132.3127-52.40000122.6
904M26.7Very low29.1Very low176 Ų176136.1 Ų136.187%0.86775%0.748SS**  trans79.5119.5158.1-79.616374.600121.6
905V29.6Very low29.4Very low132 Ų132133.7 Ų133.780%0.874%0.743SS**  trans-65.7166.3149.1-95.30000111.3
906P33.6Very low29.3Very low107 Ų107134.5 Ų134.570%0.69574%0.743SS**  cis-138.8-177.615.643.1-25.1000117.2
907N25.9Very low29.6Very low138 Ų138132.6 Ų132.674%0.73875%0.745SS**  trans52134.1142.4-84.937.4000125.2
908E26.9Very low29.6Very low147 Ų147130.6 Ų130.669%0.68774%0.744SS**  trans66.4113.3138-59.5-59.2155.700122.5
909T27.7Very low29.3Very low106 Ų106134.5 Ų134.565%0.6575%0.753SS**  trans62.2117.9139.555.40000123
910N26.3Very low29.4Very low144 Ų144132.7 Ų132.777%0.7775%0.754SS**  97.8147.9117.5-86.8-27.3000124.5
911L26.4Very low29.1Very low137 Ų137131.3 Ų131.372%0.71775%0.746SS**  trans80.295.4150.6-94.192.5000122.9
912I27.7Very low29.1Very low128 Ų128133.3 Ų133.366%0.65675%0.754SS**  trans43124.4130.5-5.8179.7000122
913H33.2Very low29.2Very low163 Ų163132.8 Ų132.876%0.75576%0.756SS**  171.9129.3107.4-86.199.8000110.2
914S27.9Very low29.3Very low103 Ų103130.6 Ų130.672%0.7276%0.756SS**  71.8139.398.8-149.50000114.3
915S35.5Very low29.6Very low95 Ų95129.5 Ų129.566%0.66475%0.754SS**  cis-155.2149.528.4-540000114.9
916Q30.5Very low29.4Very low188 Ų188130.9 Ų130.988%0.87976%0.755SS**  trans45.9147.5147.9-69.7-176.4-80.700124.4
917P36Very low29.2Very low119 Ų119131.3 Ų131.377%0.77376%0.755SS**  trans-103.6164.8172.940.8-34.6000114.6
918S31.7Very low29.3Very low124 Ų124131.3 Ų131.387%0.86776%0.756SS**  trans-140.6148.5166.4-74.60000111.4
919L25.1Very low29.3Very low162 Ų162129.7 Ų129.785%0.84876%0.756SS**  trans-97.8149.7-179.3-55.983000111.5
920T31.3Very low29.3Very low133 Ų133129.3 Ų129.382%0.81676%0.757SS**  -170139.9122.221.50000114.4
921T24.8Very low29.3Very low116 Ų116128.4 Ų128.471%0.71276%0.757SS**  trans-1.5140.4138.4-18.50000116.4
922V30.9Very low29.4Very low126 Ų126128.3 Ų128.376%0.76476%0.757SS**  -162.313170.1163.10000114.2
923T28.7Very low29.3Very low130 Ų130131.1 Ų131.180%0.79877%0.773SS**  trans23.2132.1140.6-41.60000122.8
924G28.7Very low29Very low68 Ų68127 Ų12770%0.70176%0.763SS**  trans176.395.5157.700000119.4
925N32.2Very low29Very low153 Ų153127.6 Ų127.682%0.81877%0.766SS**  trans57.492146.5-58.5-6.2000122.8
926I27.3Very low29Very low161 Ų161129.1 Ų129.183%0.82677%0.772SS**  5.6136.1120.1-36.5173.8000117.5
927V29.5Very low28.9Very low116 Ų116128.1 Ų128.170%0.70376%0.764SS**  164.8118.6125.7155.50000113.5
928N28.1Very low29Very low139 Ų139130 Ų13074%0.74377%0.766SS**  trans57158.5152.4-62.1-3.4000121.7
929T25.3Very low29.2Very low112 Ų112130 Ų13069%0.68775%0.752SS**  cis-162.5165.5-3737.50000108.6
930S28Very low30Very low98 Ų98128.4 Ų128.469%0.68575%0.745SS**  trans81.1114.7152.3-51.40000120.9
931T25.9Very low30.9Very low126 Ų126129.9 Ų129.977%0.77375%0.748SS**  trans57.3107.3135.260.20000120.9
932N28.3Very low32.6Very low134 Ų134128.9 Ų128.972%0.71774%0.737SS**  -159.7134.2108.4-114.4-79000112.7S934N932-S934 PolarHBondContact OD1-OG 3.01Å
933L27.6Very low34.2Very low188 Ų188128.2 Ų128.298%0.98474%0.737SS**  trans-105.474.9166-87.3164.9000107.8
934S25.8Very low36.6Very low77 Ų77124.8 Ų124.854%0.53871%0.714SS.*  trans-146.7133.5-177.559.80000110.7N932N932-S934 PolarHBondContact OD1-OG 3.01Å
935S28.8Very low39.4Very low114 Ų114125 Ų12580%0.79770%0.701SS**  trans47.897.6173.8-61.50000116.5K937S935-K937 PolarHBondContact O-N 2.77Å; S935-K937 VanDerWaalsContact O-N 3.13Å
936V33.7Very low42.1Very low128 Ų128126 Ų12678%0.77670%0.701SS**  trans-55.5117.6147175.40000106.7I938V936-I938 PolarHBondContact O-N 2.88Å; V936-I938 VanDerWaalsContact O-N 3.12Å
937K29.4Very low45Very low167 Ų167122.3 Ų122.373%0.72669%0.69SS**  trans-61.8113.6165.7-81.4-174.2170.9-174.30107.2S935 Q939S935-K937 PolarHBondContact O-N 2.77Å; S935-K937 VanDerWaalsContact O-N 3.13Å; K937-Q939 HydrophobicContact CB-CG 4.1Å; K937-Q939 HydrophobicContact CD-CG 4.45Å; K937-Q939 PolarHBondContact O-N 3.22Å; K937-Q939 VanDerWaalsContact O-N 3.16Å
938I38Very low48Very low159 Ų159118.7 Ų118.782%0.81567%0.665SS**  trans-74.7101159.5-59.7175.6000104.4V936V936-I938 PolarHBondContact O-N 2.88Å; V936-I938 VanDerWaalsContact O-N 3.12Å
939Q36.9Very low51Low123 Ų123115.8 Ų115.858%0.57565%0.649SS**  trans-85.6135.1174.1-77.3-174.1-128.200109.6K937K937-Q939 HydrophobicContact CB-CG 4.1Å; K937-Q939 HydrophobicContact CD-CG 4.45Å; K937-Q939 PolarHBondContact O-N 3.22Å; K937-Q939 VanDerWaalsContact O-N 3.16Å
940D41.5Very low54.2Low129 Ų129113.9 Ų113.969%0.6964%0.64SS**SBendtrans67.4139.6157.8-43.1-32.8000117.1L942D940-L942 VanDerWaalsContact C-N 3.34Å; D940-L942 PolarHBondContact O-N 3.46Å
941D50.4Low57.2Low164 Ų164111.1 Ų111.188%0.87762%0.62SS**  trans-75.377.7-166.4-72.7-57.7000113.1C943D941-C943 VanDerWaalsContact C-N 3.27Å; D941-C943 PolarHBondContact O-N 3.48Å
942L60.1Low60.5Low94 Ų94105.6 Ų105.649%0.49259%0.585SS.*  trans-65.978.7173.5-81.2164.8000112.1D940 L944 A975D940-L942 VanDerWaalsContact C-N 3.34Å; D940-L942 PolarHBondContact O-N 3.46Å; L942-L944 PolarHBondContact O-N 3.36Å; L942-A975 HydrophobicContact CB-CB 4.01Å; L942-A975 HydrophobicContact CD1-CB 4.36Å; L942-A975 HydrophobicContact CD2-CB 4.11Å; L942-A975 HydrophobicContact CG-CB 4.4Å
943C63.7Low63.5Low112 Ų112104.8 Ų104.876%0.75758%0.577SS**  trans-60.6104.5172.3-75.30000111.6D941 T945D941-C943 VanDerWaalsContact C-N 3.27Å; D941-C943 PolarHBondContact O-N 3.48Å; C943-T945 PolarHBondContact O-N 2.87Å
944L80Confident66.6Low58 Ų5898.2 Ų98.230%0.30455%0.547SS..  trans-61.1129.1172.1-67.6168.3000110.8L942 Q948 L949 I971 A975L942-L944 PolarHBondContact O-N 3.36Å; L944-Q948 HydrophobicContact CB-CB 4.39Å; L944-Q948 HydrophobicContact CD2-CB 3.93Å; L944-L949 HydrophobicContact CD1-CD1 4.22Å; L944-I971 HydrophobicContact CD1-CG2 4.16Å; L944-I971 HydrophobicContact CD2-CG2 4.4Å; L944-A975 HydrophobicContact CD2-CB 3.72Å
945T87.7Confident69.8Low72 Ų7295.1 Ų95.144%0.44253%0.525SS..  trans-67.7160.9166.369.70000110.8C943 S947 Q948 L949C943-T945 PolarHBondContact O-N 2.87Å; T945-S947 PolarHBondContact O-N 3.5Å; T945-S947 PolarHBondContact OG1-OG 3.38Å; T945-S947 VanDerWaalsContact OG1-OG 3.1Å; T945-Q948 WeakPolarHBondContact O-CB 3.38Å; T945-Q948 PolarHBondContact O-N 2.89Å; T945-Q948 VanDerWaalsContact O-N 3.13Å; T945-Q948 WeakPolarHBondContact OG1-CB 3.39Å; T945-Q948 WeakPolarHBondContact OG1-CG 3.36Å; T945-Q948 PolarHBondContact OG1-N 2.62Å; T945-Q948 PolarHBondContact OG1-OE1 3.1Å; T945-L949 WeakPolarHBondContact O-CB 3.2Å; T945-L949 PolarHBondContact O-N 3.1Å
946E87.3Confident72.9Confident174 Ų17491.5 Ų91.581%0.81350%0.495SS*.Hα-helixtrans-57.5-36.8177-171.8178.1-175.200112.6L949 S950E946-L949 PolarHBondContact O-N 2.91Å; E946-S950 WeakPolarHBondContact O-CB 3.32Å; E946-S950 PolarHBondContact O-N 3.39Å
947S89.9Confident75.6Confident84 Ų8492.9 Ų92.959%0.58749%0.493SS*.Hα-helixtrans-71.6-37.5176.157.40000112.9T945 T951T945-S947 PolarHBondContact O-N 3.5Å; T945-S947 PolarHBondContact OG1-OG 3.38Å; T945-S947 VanDerWaalsContact OG1-OG 3.1Å; S947-T951 WeakPolarHBondContact O-CB 3.42Å; S947-T951 PolarHBondContact O-N 3.49Å; S947-T951 PolarHBondContact O-OG1 2.62Å
948Q91.8Very high78.2Confident41 Ų4188.7 Ų88.719%0.19248%0.478CS..Hα-helixtrans-63.9-43.6170.4-74.8169.5-30.200111.1L944 T945 T951 V952 I974 A975L944-Q948 HydrophobicContact CB-CB 4.39Å; L944-Q948 HydrophobicContact CD2-CB 3.93Å; T945-Q948 WeakPolarHBondContact O-CB 3.38Å; T945-Q948 PolarHBondContact O-N 2.89Å; T945-Q948 VanDerWaalsContact O-N 3.13Å; T945-Q948 WeakPolarHBondContact OG1-CB 3.39Å; T945-Q948 WeakPolarHBondContact OG1-CG 3.36Å; T945-Q948 PolarHBondContact OG1-N 2.62Å; T945-Q948 PolarHBondContact OG1-OE1 3.1Å; Q948-T951 WeakPolarHBondContact O-CB 3.4Å; Q948-T951 PolarHBondContact O-N 2.96Å; Q948-V952 WeakPolarHBondContact O-CG2 2.8Å; Q948-V952 PolarHBondContact O-N 2.95Å; Q948-I974 HydrophobicContact CB-CG2 3.91Å; Q948-I974 HydrophobicContact CG-CG2 3.96Å; Q948-I974 PolarHBondContact NE2-O 2.97Å; Q948-A975 PolarHBondContact NE2-O 2.74Å
949L91.8Very high80.7Confident77 Ų7781.8 Ų81.840%0.40345%0.445SS..Hα-helixtrans-64.3-44.9178.9-175.463.9000112L944 T945 E946 T951 V952 Q953L944-L949 HydrophobicContact CD1-CD1 4.22Å; T945-L949 WeakPolarHBondContact O-CB 3.2Å; T945-L949 PolarHBondContact O-N 3.1Å; E946-L949 PolarHBondContact O-N 2.91Å; L949-T951 VanDerWaalsContact C-N 3.3Å; L949-T951 PolarHBondContact O-N 3.49Å; L949-V952 PolarHBondContact O-N 2.94Å; L949-Q953 WeakPolarHBondContact O-CG 3.5Å; L949-Q953 PolarHBondContact O-N 3.18Å
950S91.3Very high83.3Confident72 Ų7279.7 Ų79.750%0.50344%0.438SS..Hα-helixtrans-61-39174.2-172.90000111.9E946 Q953 S954E946-S950 WeakPolarHBondContact O-CB 3.32Å; E946-S950 PolarHBondContact O-N 3.39Å; S950-Q953 PolarHBondContact O-N 3.33Å; S950-S954 WeakPolarHBondContact O-CB 3.06Å; S950-S954 PolarHBondContact O-N 2.61Å
951T92.3Very high85.8Confident41 Ų4179.7 Ų79.725%0.25243%0.428SS..Hα-helixtrans-62.4-48.7173.1-58.50000111.4S947 Q948 L949 Q953 S954 L955 I974 Y1026S947-T951 WeakPolarHBondContact O-CB 3.42Å; S947-T951 PolarHBondContact O-N 3.49Å; S947-T951 PolarHBondContact O-OG1 2.62Å; Q948-T951 WeakPolarHBondContact O-CB 3.4Å; Q948-T951 PolarHBondContact O-N 2.96Å; L949-T951 VanDerWaalsContact C-N 3.3Å; L949-T951 PolarHBondContact O-N 3.49Å; T951-Q953 VanDerWaalsContact C-N 3.33Å; T951-Q953 PolarHBondContact O-N 3.01Å; T951-S954 PolarHBondContact O-N 3.44Å; T951-L955 HydrophobicContact CG2-CD1 4.16Å; T951-L955 WeakPolarHBondContact O-CG 3.49Å; T951-L955 PolarHBondContact O-N 3.12Å; T951-I974 HydrophobicContact CG2-CD1 4.29Å; T951-Y1026 HydrophobicContact CG2-CE2 4.41Å; T951-Y1026 WeakPolarHBondContact CG2-OH 3.39Å
952V94Very high87.8Confident9 Ų972.6 Ų72.66%0.05539%0.391CS..Hα-helixtrans-59.3-43177.2167.90000111.3Q948 L949 L955 F956 I971 I974Q948-V952 WeakPolarHBondContact O-CG2 2.8Å; Q948-V952 PolarHBondContact O-N 2.95Å; L949-V952 PolarHBondContact O-N 2.94Å; V952-L955 PolarHBondContact O-N 3.32Å; V952-F956 HydrophobicContact CG1-CD2 3.71Å; V952-F956 HydrophobicContact CG1-CE2 3.49Å; V952-F956 VanDerWaalsContact CG1-CE2 3.49Å; V952-F956 HydrophobicContact CG1-CZ 4.3Å; V952-F956 WeakPolarHBondContact O-CB 3.45Å; V952-F956 WeakPolarHBondContact O-CG 3.31Å; V952-F956 PolarHBondContact O-N 2.95Å; V952-F956 VanDerWaalsContact O-N 3.08Å; V952-I971 HydrophobicContact CG1-CD1 4.42Å; V952-I971 HydrophobicContact CG1-CG1 3.9Å; V952-I971 HydrophobicContact CG2-CG1 4.24Å; V952-I974 HydrophobicContact CG2-CB 4.35Å; V952-I974 HydrophobicContact CG2-CD1 3.88Å; V952-I974 HydrophobicContact CG2-CG2 4.07Å
953Q92.5Very high89.4Confident117 Ų11771.4 Ų71.455%0.54739%0.387SS..Hα-helixtrans-61.4-48.6175.3-72.8173-6.400111.5L949 S950 T951 L955 F956 Q957L949-Q953 WeakPolarHBondContact O-CG 3.5Å; L949-Q953 PolarHBondContact O-N 3.18Å; S950-Q953 PolarHBondContact O-N 3.33Å; T951-Q953 VanDerWaalsContact C-N 3.33Å; T951-Q953 PolarHBondContact O-N 3.01Å; Q953-L955 VanDerWaalsContact C-N 3.29Å; Q953-L955 PolarHBondContact O-N 3.37Å; Q953-F956 PolarHBondContact O-N 3.09Å; Q953-Q957 PolarHBondContact O-N 3.39Å
954S91.9Very high90.8Very high51 Ų5177 Ų7736%0.35739%0.393SS..Hα-helixtrans-63.3-30.2177.9-177.90000113.7S950 T951S950-S954 WeakPolarHBondContact O-CB 3.06Å; S950-S954 PolarHBondContact O-N 2.61Å; T951-S954 PolarHBondContact O-N 3.44Å
955L92.5Very high91.5Very high12 Ų1278.2 Ų78.26%0.06340%0.404CS..Hα-helixtrans-76.8-24.7173.5-70.7176.9000113.2T951 V952 Q953 I970 I974 L993 L1017 K1028T951-L955 HydrophobicContact CG2-CD1 4.16Å; T951-L955 WeakPolarHBondContact O-CG 3.49Å; T951-L955 PolarHBondContact O-N 3.12Å; V952-L955 PolarHBondContact O-N 3.32Å; Q953-L955 VanDerWaalsContact C-N 3.29Å; Q953-L955 PolarHBondContact O-N 3.37Å; L955-I970 HydrophobicContact CD1-CG2 4.29Å; L955-I974 HydrophobicContact CD1-CD1 3.5Å; L955-L993 HydrophobicContact CD2-CD1 4.07Å; L955-L1017 HydrophobicContact CD1-CD1 4.18Å; L955-L1017 HydrophobicContact CD1-CD2 4.27Å; L955-L1017 HydrophobicContact CD2-CD1 4.01Å; L955-K1028 HydrophobicContact CD2-CD 4Å
956F94.1Very high91.8Very high37 Ų3776.4 Ų76.416%0.16239%0.39CS..Hα-helixtrans-102-11.5-177.4-66.5-18.5000115.4V952 Q953 D958 A959 V962 K967 I970 I971V952-F956 HydrophobicContact CG1-CD2 3.71Å; V952-F956 HydrophobicContact CG1-CE2 3.49Å; V952-F956 VanDerWaalsContact CG1-CE2 3.49Å; V952-F956 HydrophobicContact CG1-CZ 4.3Å; V952-F956 WeakPolarHBondContact O-CB 3.45Å; V952-F956 WeakPolarHBondContact O-CG 3.31Å; V952-F956 PolarHBondContact O-N 2.95Å; V952-F956 VanDerWaalsContact O-N 3.08Å; Q953-F956 PolarHBondContact O-N 3.09Å; F956-D958 PolarHBondContact O-N 3.08Å; F956-A959 HydrophobicContact CD1-CB 4.48Å; F956-A959 WeakPolarHBondContact O-CB 3.5Å; F956-A959 PolarHBondContact O-N 3.38Å; F956-V962 HydrophobicContact CE1-CG1 4.5Å; F956-K967 HydrophobicContact CD1-CD 4.42Å; F956-K967 HydrophobicContact CD1-CG 4.4Å; F956-K967 HydrophobicContact CD2-CD 4.12Å; F956-K967 HydrophobicContact CE1-CB 4.31Å; F956-K967 HydrophobicContact CE1-CD 4.34Å; F956-K967 HydrophobicContact CE1-CG 3.88Å; F956-K967 HydrophobicContact CE2-CB 3.95Å; F956-K967 HydrophobicContact CE2-CD 4.02Å; F956-K967 HydrophobicContact CE2-CG 4.03Å; F956-K967 HydrophobicContact CG-CD 4.34Å; F956-K967 HydrophobicContact CZ-CB 3.65Å; F956-K967 HydrophobicContact CZ-CD 4.16Å; F956-K967 HydrophobicContact CZ-CG 3.69Å; F956-I970 HydrophobicContact CE1-CB 4.27Å; F956-I970 HydrophobicContact CE1-CD1 3.99Å; F956-I970 HydrophobicContact CE1-CG2 3.99Å; F956-I970 HydrophobicContact CZ-CB 4.11Å; F956-I970 HydrophobicContact CZ-CG2 3.98Å; F956-I971 HydrophobicContact CE2-CD1 4.1Å; F956-I971 HydrophobicContact CE2-CG1 4.13Å; F956-I971 HydrophobicContact CZ-CG1 4.35Å
957Q89.7Confident92.1Very high157 Ų15771.3 Ų71.373%0.73437%0.365SS*.THydrogen-bonded Turntrans-55.7-49.7-178.5-173.8166.85.300112.7Q953Q953-Q957 PolarHBondContact O-N 3.39Å
958D84Confident92.3Very high80 Ų8069.7 Ų69.743%0.42836%0.357SS..THydrogen-bonded Turntrans-96.36.7-178.1-39.3-53.6000113.1F956 N960 S994 K1028F956-D958 PolarHBondContact O-N 3.08Å; D958-N960 PolarHBondContact O-N 3.16Å; D958-S994 VanDerWaalsContact O-CB 3.22Å; D958-S994 WeakPolarHBondContact O-CB 3.38Å; D958-K1028 IonicContact OD2-NZ 3.72Å
959A90.8Very high92.4Very high14 Ų1468.3 Ų68.312%0.11635%0.351CS..  trans-87.781.7-158.400000114.2F956 V962 L993F956-A959 HydrophobicContact CD1-CB 4.48Å; F956-A959 WeakPolarHBondContact O-CB 3.5Å; F956-A959 PolarHBondContact O-N 3.38Å; A959-V962 HydrophobicContact CB-CG2 3.98Å; A959-L993 CarbonylContact C-O 3.13Å; A959-L993 VanDerWaalsContact C-O 3.26Å; A959-L993 WeakPolarHBondContact CA-O 3.35Å; A959-L993 WeakPolarHBondContact CB-O 3.44Å
960N92.1Very high92.6Very high78 Ų7864.7 Ų64.742%0.41733%0.332SS..SBendtrans-854.4-179.874-6.4000115.7D958 L993 S994 E995 P1044D958-N960 PolarHBondContact O-N 3.16Å; N960-L993 PolarHBondContact N-O 3.02Å; N960-S994 WeakPolarHBondContact OD1-CA 3.39Å; N960-E995 PolarHBondContact ND2-O 3.39Å; N960-E995 PolarHBondContact OD1-N 2.79Å; N960-E995 PolarHBondContact OD1-O 2.98Å; N960-P1044 WeakPolarHBondContact ND2-CG 2.96Å
961R93.6Very high92.8Very high130 Ų13064.2 Ų64.249%0.49132%0.323SS..SBendtrans-115.5-20.6178.9-68.6-84.389163.4-6.2115.1T963 R992 L993 E995R961-T963 PolarHBondContact O-N 2.76Å; R961-R992 HydrophobicContact CB-CB 4.29Å; R961-R992 HydrophobicContact CB-CG 4.18Å; R961-R992 VanDerWaalsContact CB-O 3.32Å; R961-R992 WeakPolarHBondContact CB-O 3.16Å; R961-R992 HydrophobicContact CG-CG 4.07Å; R961-L993 WeakPolarHBondContact CB-O 3.36Å; R961-L993 PolarHBondContact N-O 3.14Å; R961-E995 VanDerWaalsContact CD-OE2 3.26Å; R961-E995 WeakPolarHBondContact CD-OE2 3.47Å; R961-E995 HydrophobicContact CG-CB 3.69Å; R961-E995 IonicContact CZ-OE2 3.52Å; R961-E995 IonicContact NE-OE2 3.54Å; R961-E995 IonicContact NH1-OE2 2.99Å; R961-E995 PolarHBondContact NH1-OE2 2.89Å
962V93.7Very high92.8Very high15 Ų1563.9 Ų63.99%0.09132%0.323CS..  trans-76.6120.6-171.3-166.60000112.5F956 A959 E966 K967 I970 I991 L993F956-V962 HydrophobicContact CE1-CG1 4.5Å; A959-V962 HydrophobicContact CB-CG2 3.98Å; V962-E966 HydrophobicContact CG1-CB 3.57Å; V962-K967 HydrophobicContact CB-CG 4.08Å; V962-K967 HydrophobicContact CG1-CB 4.41Å; V962-K967 HydrophobicContact CG1-CG 3.48Å; V962-K967 VanDerWaalsContact CG1-CG 3.48Å; V962-I970 HydrophobicContact CG1-CD1 4.03Å; V962-I991 HydrophobicContact CG1-CG2 4.34Å; V962-L993 HydrophobicContact CG2-CB 4.39Å; V962-L993 HydrophobicContact CG2-CD2 3.65Å
963T93.8Very high92.8Very high69 Ų6963.5 Ų63.542%0.42332%0.32SS..  trans-77.2163.2176.367.70000112.8R961 P965 E966 K967R961-T963 PolarHBondContact O-N 2.76Å; T963-P965 WeakPolarHBondContact OG1-CD 3.31Å; T963-E966 WeakPolarHBondContact CB-OE2 3.42Å; T963-E966 WeakPolarHBondContact CG2-OE2 3.29Å; T963-E966 PolarHBondContact N-OE2 3.48Å; T963-E966 WeakPolarHBondContact O-CB 3.32Å; T963-E966 PolarHBondContact O-N 2.71Å; T963-E966 VanDerWaalsContact O-N 3.09Å; T963-E966 VanDerWaalsContact OG1-CD 3.23Å; T963-E966 WeakPolarHBondContact OG1-CG 3.27Å; T963-E966 PolarHBondContact OG1-OE2 2.78Å; T963-K967 PolarHBondContact O-N 3.13Å
964R92.2Very high92.9Very high230 Ų23058.6 Ų58.687%0.86830%0.298SS*.Hα-helixtrans-51.6-48.2178.3-173177.8179.4-174.20114.8E966 K967 A968R964-E966 VanDerWaalsContact C-N 3.3Å; R964-E966 PolarHBondContact O-N 3.04Å; R964-K967 PolarHBondContact O-N 3.25Å; R964-A968 PolarHBondContact O-N 3.36Å; R964-A968 VanDerWaalsContact O-N 3.16Å
965P93.8Very high93Very high83 Ų8357 Ų5754%0.53929%0.287SS..Hα-helixtrans-67.3-29.7177.326.3-35000113T963 A968 M969T963-P965 WeakPolarHBondContact OG1-CD 3.31Å; P965-A968 PolarHBondContact O-N 3.04Å; P965-M969 PolarHBondContact O-N 3.2Å
966E94.6Very high92.9Very high33 Ų3358 Ų5815%0.15430%0.3CS..Hα-helixtrans-72.6-36.9175-70.3166.1147.300111.7V962 T963 R964 A968 M969 I970 R982 I991V962-E966 HydrophobicContact CG1-CB 3.57Å; T963-E966 WeakPolarHBondContact CB-OE2 3.42Å; T963-E966 WeakPolarHBondContact CG2-OE2 3.29Å; T963-E966 PolarHBondContact N-OE2 3.48Å; T963-E966 WeakPolarHBondContact O-CB 3.32Å; T963-E966 PolarHBondContact O-N 2.71Å; T963-E966 VanDerWaalsContact O-N 3.09Å; T963-E966 VanDerWaalsContact OG1-CD 3.23Å; T963-E966 WeakPolarHBondContact OG1-CG 3.27Å; T963-E966 PolarHBondContact OG1-OE2 2.78Å; R964-E966 VanDerWaalsContact C-N 3.3Å; R964-E966 PolarHBondContact O-N 3.04Å; E966-A968 VanDerWaalsContact C-N 3.28Å; E966-A968 PolarHBondContact O-N 2.85Å; E966-M969 PolarHBondContact O-N 2.93Å; E966-I970 VanDerWaalsContact O-CG1 3.27Å; E966-I970 WeakPolarHBondContact O-CG1 3.32Å; E966-I970 PolarHBondContact O-N 3.37Å; E966-R982 IonicContact OE1-NH1 2.62Å; E966-R982 IonicContact OE1-NH2 3.97Å; E966-I991 HydrophobicContact CB-CD1 4.14Å; E966-I991 HydrophobicContact CB-CG2 4.11Å; E966-I991 HydrophobicContact CG-CD1 4.3Å; E966-I991 HydrophobicContact CG-CG2 4.31Å
967K94.9Very high92.7Very high67 Ų6757.5 Ų57.529%0.29130%0.301SS..Hα-helixtrans-59.7-40.7170.4-66.9-162.9178.2-167.90111.4F956 V962 T963 R964 I970 I971F956-K967 HydrophobicContact CD1-CD 4.42Å; F956-K967 HydrophobicContact CD1-CG 4.4Å; F956-K967 HydrophobicContact CD2-CD 4.12Å; F956-K967 HydrophobicContact CE1-CB 4.31Å; F956-K967 HydrophobicContact CE1-CD 4.34Å; F956-K967 HydrophobicContact CE1-CG 3.88Å; F956-K967 HydrophobicContact CE2-CB 3.95Å; F956-K967 HydrophobicContact CE2-CD 4.02Å; F956-K967 HydrophobicContact CE2-CG 4.03Å; F956-K967 HydrophobicContact CG-CD 4.34Å; F956-K967 HydrophobicContact CZ-CB 3.65Å; F956-K967 HydrophobicContact CZ-CD 4.16Å; F956-K967 HydrophobicContact CZ-CG 3.69Å; V962-K967 HydrophobicContact CB-CG 4.08Å; V962-K967 HydrophobicContact CG1-CB 4.41Å; V962-K967 HydrophobicContact CG1-CG 3.48Å; V962-K967 VanDerWaalsContact CG1-CG 3.48Å; T963-K967 PolarHBondContact O-N 3.13Å; R964-K967 PolarHBondContact O-N 3.25Å; K967-I970 PolarHBondContact O-N 3.06Å; K967-I971 WeakPolarHBondContact O-CB 3.08Å; K967-I971 WeakPolarHBondContact O-CD1 3.35Å; K967-I971 VanDerWaalsContact O-CG1 3.23Å; K967-I971 WeakPolarHBondContact O-CG1 2.83Å; K967-I971 PolarHBondContact O-N 3.4Å
968A93.8Very high92.8Very high50 Ų5055.6 Ų55.641%0.41329%0.287SS..Hα-helixtrans-63.8-43.6175.600000112.4R964 P965 E966 I970 I971 S972R964-A968 PolarHBondContact O-N 3.36Å; R964-A968 VanDerWaalsContact O-N 3.16Å; P965-A968 PolarHBondContact O-N 3.04Å; E966-A968 VanDerWaalsContact C-N 3.28Å; E966-A968 PolarHBondContact O-N 2.85Å; A968-I970 PolarHBondContact O-N 3.33Å; A968-I971 PolarHBondContact O-N 3.36Å; A968-S972 PolarHBondContact O-N 3.07Å; A968-S972 PolarHBondContact O-OG 3.1Å
969M93.6Very high93.1Very high13 Ų1357.9 Ų57.96%0.06430%0.3CS..Hα-helixtrans-62.7-38.7176.9-172.3-170.7-5400113P965 E966 S972 F973 P981 R982 T989 I991 M1019 Y1021P965-M969 PolarHBondContact O-N 3.2Å; E966-M969 PolarHBondContact O-N 2.93Å; M969-S972 PolarHBondContact O-OG 3.21Å; M969-S972 VanDerWaalsContact O-OG 3.12Å; M969-F973 WeakPolarHBondContact O-CB 3.19Å; M969-F973 PolarHBondContact O-N 3.37Å; M969-F973 VanDerWaalsContact O-N 3.15Å; M969-P981 HydrophobicContact CE-CG 3.91Å; M969-P981 HydrophobicContact CG-CG 3.81Å; M969-P981 HydrophobicContact SD-CG 4.16Å; M969-R982 HydrophobicContact CE-CG 4.2Å; M969-T989 HydrophobicContact SD-CG2 3.97Å; M969-I991 HydrophobicContact SD-CD1 3.89Å; M969-M1019 HydrophobicContact CG-CE 4.03Å; M969-M1019 HydrophobicContact SD-CE 4.03Å; M969-Y1021 VanDerWaalsContact CG-OH 3.23Å; M969-Y1021 WeakPolarHBondContact CG-OH 3.42Å
970I95Very high92.9Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-68.9-42.2175.7-67.6170.6000110.6L955 F956 V962 E966 K967 A968 I974 I991 L993 L1017 M1019L955-I970 HydrophobicContact CD1-CG2 4.29Å; F956-I970 HydrophobicContact CE1-CB 4.27Å; F956-I970 HydrophobicContact CE1-CD1 3.99Å; F956-I970 HydrophobicContact CE1-CG2 3.99Å; F956-I970 HydrophobicContact CZ-CB 4.11Å; F956-I970 HydrophobicContact CZ-CG2 3.98Å; V962-I970 HydrophobicContact CG1-CD1 4.03Å; E966-I970 VanDerWaalsContact O-CG1 3.27Å; E966-I970 WeakPolarHBondContact O-CG1 3.32Å; E966-I970 PolarHBondContact O-N 3.37Å; K967-I970 PolarHBondContact O-N 3.06Å; A968-I970 PolarHBondContact O-N 3.33Å; I970-I974 HydrophobicContact CG2-CD1 3.69Å; I970-I974 WeakPolarHBondContact O-CB 3.44Å; I970-I974 WeakPolarHBondContact O-CD1 3.39Å; I970-I974 VanDerWaalsContact O-CG1 3.29Å; I970-I974 WeakPolarHBondContact O-CG1 3.31Å; I970-I974 PolarHBondContact O-N 3.22Å; I970-I974 VanDerWaalsContact O-N 3.1Å; I970-I991 HydrophobicContact CD1-CD1 3.94Å; I970-I991 HydrophobicContact CD1-CG2 4.23Å; I970-I991 HydrophobicContact CG1-CD1 3.77Å; I970-L993 HydrophobicContact CD1-CD2 3.99Å; I970-L1017 HydrophobicContact CB-CD2 4.41Å; I970-L1017 HydrophobicContact CD1-CD2 3.95Å; I970-L1017 HydrophobicContact CG1-CD2 3.8Å; I970-L1017 HydrophobicContact CG2-CD2 3.82Å; I970-M1019 HydrophobicContact CB-SD 4.47Å; I970-M1019 HydrophobicContact CG1-CE 4.2Å; I970-M1019 HydrophobicContact CG1-SD 3.95Å
971I95.1Very high92.7Very high62 Ų6258.2 Ų58.232%0.31830%0.304SS..Hα-helixtrans-61.9-48.1176.2-72.3164.4000111L944 V952 F956 K967 A968 F973 I974 A975L944-I971 HydrophobicContact CD1-CG2 4.16Å; L944-I971 HydrophobicContact CD2-CG2 4.4Å; V952-I971 HydrophobicContact CG1-CD1 4.42Å; V952-I971 HydrophobicContact CG1-CG1 3.9Å; V952-I971 HydrophobicContact CG2-CG1 4.24Å; F956-I971 HydrophobicContact CE2-CD1 4.1Å; F956-I971 HydrophobicContact CE2-CG1 4.13Å; F956-I971 HydrophobicContact CZ-CG1 4.35Å; K967-I971 WeakPolarHBondContact O-CB 3.08Å; K967-I971 WeakPolarHBondContact O-CD1 3.35Å; K967-I971 VanDerWaalsContact O-CG1 3.23Å; K967-I971 WeakPolarHBondContact O-CG1 2.83Å; K967-I971 PolarHBondContact O-N 3.4Å; A968-I971 PolarHBondContact O-N 3.36Å; I971-F973 PolarHBondContact O-N 2.95Å; I971-I974 PolarHBondContact O-N 2.85Å; I971-A975 VanDerWaalsContact O-CB 3.29Å; I971-A975 WeakPolarHBondContact O-CB 3.24Å; I971-A975 PolarHBondContact O-N 3.37Å
972S93.2Very high92.2Very high35 Ų3555.9 Ų55.925%0.24530%0.295CS..Hα-helixtrans-64.8-39.9-178.5630000112.4A968 M969 A975 G976 S977A968-S972 PolarHBondContact O-N 3.07Å; A968-S972 PolarHBondContact O-OG 3.1Å; M969-S972 PolarHBondContact O-OG 3.21Å; M969-S972 VanDerWaalsContact O-OG 3.12Å; S972-A975 PolarHBondContact O-N 2.98Å; S972-G976 PolarHBondContact O-N 3.19Å; S972-G976 VanDerWaalsContact O-N 3.15Å; S972-S977 VanDerWaalsContact O-CB 3.28Å; S972-S977 WeakPolarHBondContact O-CB 3.47Å; S972-S977 PolarHBondContact O-N 2.92Å
973F94.9Very high91.7Very high1 Ų159.6 Ų59.60%0.00432%0.319CS..Hα-helixtrans-60.5-47.1175.5-172-87.5000112.3M969 I971 G976 R978 M1019 D1020 Y1021 K1025 Y1026M969-F973 WeakPolarHBondContact O-CB 3.19Å; M969-F973 PolarHBondContact O-N 3.37Å; M969-F973 VanDerWaalsContact O-N 3.15Å; I971-F973 PolarHBondContact O-N 2.95Å; F973-G976 PolarHBondContact O-N 3.06Å; F973-R978 PolarHBondContact O-NH2 3.33Å; F973-M1019 HydrophobicContact CB-SD 3.82Å; F973-M1019 HydrophobicContact CD1-CB 4.28Å; F973-M1019 HydrophobicContact CD1-CG 4.16Å; F973-M1019 HydrophobicContact CD1-SD 4.1Å; F973-M1019 HydrophobicContact CD2-CB 3.98Å; F973-M1019 HydrophobicContact CD2-SD 4.36Å; F973-M1019 HydrophobicContact CE1-CB 4.17Å; F973-M1019 HydrophobicContact CE1-CG 4.36Å; F973-M1019 HydrophobicContact CE2-CB 3.83Å; F973-M1019 HydrophobicContact CG-CB 4.19Å; F973-M1019 HydrophobicContact CG-CG 4.26Å; F973-M1019 HydrophobicContact CG-SD 3.83Å; F973-M1019 HydrophobicContact CZ-CB 3.93Å; F973-D1020 WeakPolarHBondContact CZ-O 3.44Å; F973-Y1021 AromaticContact CD2-CD1 3.82Å; F973-Y1021 HydrophobicContact CD2-CD1 3.82Å; F973-Y1021 HydrophobicContact CD2-CD2 4.4Å; F973-Y1021 AromaticContact CD2-CE1 3.59Å; F973-Y1021 HydrophobicContact CD2-CE1 3.59Å; F973-Y1021 HydrophobicContact CD2-CE2 4.17Å; F973-Y1021 HydrophobicContact CD2-CG 4.24Å; F973-Y1021 AromaticContact CD2-CZ 3.77Å; F973-Y1021 AromaticContact CE2-CD1 3.99Å; F973-Y1021 HydrophobicContact CE2-CD1 3.99Å; F973-Y1021 HydrophobicContact CE2-CD2 4.19Å; F973-Y1021 HydrophobicContact CE2-CE1 4.2Å; F973-Y1021 HydrophobicContact CE2-CE2 4.36Å; F973-Y1021 AromaticContact CE2-CG 4Å; F973-Y1021 HydrophobicContact CE2-CG 4Å; F973-K1025 VanDerWaalsContact CZ-O 3.32Å; F973-K1025 WeakPolarHBondContact CZ-O 3.2Å; F973-Y1026 HydrophobicContact CD1-CD1 4.4Å; F973-Y1026 HydrophobicContact CE1-CD1 4.04Å; F973-Y1026 HydrophobicContact CE1-CG 4.43Å
974I94.3Very high91.2Very high14 Ų1463.1 Ų63.17%0.07233%0.331CS..Hα-helixtrans-69.1-37.1-180-69168.4000111.4Q948 T951 V952 L955 I970 I971 G976Q948-I974 HydrophobicContact CB-CG2 3.91Å; Q948-I974 HydrophobicContact CG-CG2 3.96Å; Q948-I974 PolarHBondContact NE2-O 2.97Å; T951-I974 HydrophobicContact CG2-CD1 4.29Å; V952-I974 HydrophobicContact CG2-CB 4.35Å; V952-I974 HydrophobicContact CG2-CD1 3.88Å; V952-I974 HydrophobicContact CG2-CG2 4.07Å; L955-I974 HydrophobicContact CD1-CD1 3.5Å; I970-I974 HydrophobicContact CG2-CD1 3.69Å; I970-I974 WeakPolarHBondContact O-CB 3.44Å; I970-I974 WeakPolarHBondContact O-CD1 3.39Å; I970-I974 VanDerWaalsContact O-CG1 3.29Å; I970-I974 WeakPolarHBondContact O-CG1 3.31Å; I970-I974 PolarHBondContact O-N 3.22Å; I970-I974 VanDerWaalsContact O-N 3.1Å; I971-I974 PolarHBondContact O-N 2.85Å; I974-G976 VanDerWaalsContact C-N 3.26Å; I974-G976 PolarHBondContact O-N 3.44Å
975A92.8Very high90.7Very high16 Ų1656 Ų5613%0.13231%0.313CS..Hα-helixtrans-62.4-32.7175.400000112.6L942 L944 Q948 I971 S972L942-A975 HydrophobicContact CB-CB 4.01Å; L942-A975 HydrophobicContact CD1-CB 4.36Å; L942-A975 HydrophobicContact CD2-CB 4.11Å; L942-A975 HydrophobicContact CG-CB 4.4Å; L944-A975 HydrophobicContact CD2-CB 3.72Å; Q948-A975 PolarHBondContact NE2-O 2.74Å; I971-A975 VanDerWaalsContact O-CB 3.29Å; I971-A975 WeakPolarHBondContact O-CB 3.24Å; I971-A975 PolarHBondContact O-N 3.37Å; S972-A975 PolarHBondContact O-N 2.98Å
976G91.2Very high90.4Very high33 Ų3353.8 Ų53.834%0.3431%0.305SS..THydrogen-bonded Turntrans145.8-11.5173.300000115.4S972 F973 I974 R978S972-G976 PolarHBondContact O-N 3.19Å; S972-G976 VanDerWaalsContact O-N 3.15Å; F973-G976 PolarHBondContact O-N 3.06Å; I974-G976 VanDerWaalsContact C-N 3.26Å; I974-G976 PolarHBondContact O-N 3.44Å; G976-R978 VanDerWaalsContact O-CZ 3.3Å; G976-R978 PolarHBondContact O-NE 2.82Å; G976-R978 PolarHBondContact O-NH2 3.43Å
977S89.8Confident90.1Very high27 Ų2758.4 Ų58.419%0.18933%0.327CS..  trans-60.6140.5-177.1-1790000111.7S972S972-S977 VanDerWaalsContact O-CB 3.28Å; S972-S977 WeakPolarHBondContact O-CB 3.47Å; S972-S977 PolarHBondContact O-N 2.92Å
978R91.4Very high90Very high117 Ų11759.8 Ų59.844%0.44234%0.336SS..  trans-118.71.7176.8-61.1-61.2120.389.1-4.3113F973 G976 N980 Y1021F973-R978 PolarHBondContact O-NH2 3.33Å; G976-R978 VanDerWaalsContact O-CZ 3.3Å; G976-R978 PolarHBondContact O-NE 2.82Å; G976-R978 PolarHBondContact O-NH2 3.43Å; R978-N980 PolarHBondContact O-N 3.15Å; R978-Y1021 WeakPolarHBondContact O-CD1 3.45Å
979D89.7Confident89.9Confident129 Ų12957.5 Ų57.569%0.6932%0.317SS*.  trans-78.6114.8172.8-52.7-74.3000109.3P981 Y1021D979-P981 WeakPolarHBondContact O-CD 3.31Å; D979-Y1021 VanDerWaalsContact O-CE1 3.31Å; D979-Y1021 WeakPolarHBondContact O-CE1 3.34Å
980N88.1Confident89.9Confident26 Ų2663.1 Ų63.114%0.13934%0.338CS..  trans-75.4117173.9-174.20.1000109.5R978 R982 P983 G986 T989 Y1021R978-N980 PolarHBondContact O-N 3.15Å; N980-R982 PolarHBondContact ND2-O 3.31Å; N980-R982 VanDerWaalsContact ND2-O 3.07Å; N980-R982 PolarHBondContact O-N 3.4Å; N980-R982 PolarHBondContact OD1-N 3.09Å; N980-P983 WeakPolarHBondContact O-CD 3.45Å; N980-G986 PolarHBondContact ND2-O 3.41Å; N980-T989 PolarHBondContact ND2-OG1 3.04Å; N980-T989 PolarHBondContact OD1-OG1 3.07Å; N980-Y1021 HydrophobicContact CB-CD1 3.88Å; N980-Y1021 HydrophobicContact CB-CD2 3.77Å; N980-Y1021 HydrophobicContact CB-CE1 4.11Å; N980-Y1021 HydrophobicContact CB-CE2 4.02Å; N980-Y1021 HydrophobicContact CB-CG 3.7Å
981P86.8Confident89.9Confident73 Ų7363.3 Ų63.347%0.47434%0.338SS..SBendtrans-73.4-0175.132.9-38.2000113.9M969 D979M969-P981 HydrophobicContact CE-CG 3.91Å; M969-P981 HydrophobicContact CG-CG 3.81Å; M969-P981 HydrophobicContact SD-CG 4.16Å; D979-P981 WeakPolarHBondContact O-CD 3.31Å
982R83.9Confident89.9Confident81 Ų8164.1 Ų64.131%0.30634%0.338SS..  trans-129.160173.3-69.6-173.3-174.4155.82.2111.3E966 M969 N980 E984 T985E966-R982 IonicContact OE1-NH1 2.62Å; E966-R982 IonicContact OE1-NH2 3.97Å; M969-R982 HydrophobicContact CE-CG 4.2Å; N980-R982 PolarHBondContact ND2-O 3.31Å; N980-R982 VanDerWaalsContact ND2-O 3.07Å; N980-R982 PolarHBondContact O-N 3.4Å; N980-R982 PolarHBondContact OD1-N 3.09Å; R982-E984 WeakPolarHBondContact CA-OE1 3.47Å; R982-E984 VanDerWaalsContact CA-OE2 3.28Å; R982-E984 WeakPolarHBondContact CA-OE2 3.2Å; R982-E984 VanDerWaalsContact CB-OE1 3.23Å; R982-E984 WeakPolarHBondContact CB-OE1 3.12Å; R982-E984 WeakPolarHBondContact CG-OE1 3.46Å; R982-E984 PolarHBondContact O-N 3.41Å; R982-E984 VanDerWaalsContact O-N 3.13Å; R982-T985 WeakPolarHBondContact O-CB 3.27Å; R982-T985 PolarHBondContact O-N 2.93Å
983P82.2Confident90Very high92 Ų9262.6 Ų62.660%0.59733%0.327SS*.G310 helixtrans-60.7-24-175.428.5-36000113N980 T985 G986N980-P983 WeakPolarHBondContact O-CD 3.45Å; P983-T985 PolarHBondContact O-N 3.49Å; P983-G986 PolarHBondContact O-N 2.92Å
984E84.8Confident90Very high144 Ų14462.7 Ų62.767%0.67333%0.328SS*.G310 helixtrans-63.2-1717374.3-69162.900114.1R982R982-E984 WeakPolarHBondContact CA-OE1 3.47Å; R982-E984 VanDerWaalsContact CA-OE2 3.28Å; R982-E984 WeakPolarHBondContact CA-OE2 3.2Å; R982-E984 VanDerWaalsContact CB-OE1 3.23Å; R982-E984 WeakPolarHBondContact CB-OE1 3.12Å; R982-E984 WeakPolarHBondContact CG-OE1 3.46Å; R982-E984 PolarHBondContact O-N 3.41Å; R982-E984 VanDerWaalsContact O-N 3.13Å
985T80.1Confident89.9Confident80 Ų8062.7 Ų62.749%0.49133%0.327SS..G310 helixtrans-88.5-6.8174.7-50.30000112.1R982 P983R982-T985 WeakPolarHBondContact O-CB 3.27Å; R982-T985 PolarHBondContact O-N 2.93Å; P983-T985 PolarHBondContact O-N 3.49Å
986G87.5Confident89.9Confident36 Ų3662.7 Ų62.737%0.37133%0.325SS..  trans92-166.8-174.100000113.2N980 P983 I988N980-G986 PolarHBondContact ND2-O 3.41Å; P983-G986 PolarHBondContact O-N 2.92Å; G986-I988 VanDerWaalsContact C-N 3.33Å
987Q89.4Confident89.9Confident131 Ų13163.4 Ų63.461%0.61232%0.317SS*.SBendtrans-79.7-13.2-176.7-68176.1-4.500113.9Y1021Q987-Y1021 WeakPolarHBondContact O-CB 3.47Å; Q987-Y1021 PolarHBondContact O-N 3.27Å
988I91.9Very high89.9Confident95 Ų9562.5 Ų62.549%0.48731%0.31SS..EExtended strand (participates in β ladder)trans-116.7118.8-178.6-56.8176.7000109.2G986 T1018 M1019 D1020G986-I988 VanDerWaalsContact C-N 3.33Å; I988-T1018 HydrophobicContact CG2-CG2 3.47Å; I988-T1018 VanDerWaalsContact CG2-CG2 3.47Å; I988-M1019 CarbonylContact C-O 3.28Å; I988-M1019 WeakPolarHBondContact CA-O 3.33Å; I988-D1020 HydrophobicContact CG1-CB 4.11Å
989T92.6Very high89.8Confident2 Ų264.1 Ų64.11%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-109.2134.2176.6-630000110.3M969 N980 I991 M1019M969-T989 HydrophobicContact SD-CG2 3.97Å; N980-T989 PolarHBondContact ND2-OG1 3.04Å; N980-T989 PolarHBondContact OD1-OG1 3.07Å; T989-I991 HydrophobicContact CG2-CG1 4.32Å; T989-M1019 PolarHBondContact N-O 3.48Å; T989-M1019 PolarHBondContact O-N 2.96Å
990R93.8Very high89.5Confident132 Ų13258 Ų5850%0.49828%0.283SS..EExtended strand (participates in β ladder)trans-117.8124.4178.8-174.9-179.9174.6-173.72.1110.6F1016 L1017R990-F1016 HydrophobicContact CG-CB 4.07Å; R990-F1016 HydrophobicContact CG-CD1 3.94Å; R990-F1016 HydrophobicContact CG-CG 4.32Å; R990-F1016 VanDerWaalsContact NE-CD1 3.32Å; R990-F1016 VanDerWaalsContact NE-CG 3.31Å; R990-L1017 WeakPolarHBondContact CA-O 3.38Å
991I94.4Very high89.3Confident3 Ų359.5 Ų59.52%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-117139.8-179.7-62169.8000108.6V962 E966 M969 I970 T989 F1016 L1017 M1019V962-I991 HydrophobicContact CG1-CG2 4.34Å; E966-I991 HydrophobicContact CB-CD1 4.14Å; E966-I991 HydrophobicContact CB-CG2 4.11Å; E966-I991 HydrophobicContact CG-CD1 4.3Å; E966-I991 HydrophobicContact CG-CG2 4.31Å; M969-I991 HydrophobicContact SD-CD1 3.89Å; I970-I991 HydrophobicContact CD1-CD1 3.94Å; I970-I991 HydrophobicContact CD1-CG2 4.23Å; I970-I991 HydrophobicContact CG1-CD1 3.77Å; T989-I991 HydrophobicContact CG2-CG1 4.32Å; I991-F1016 CarbonylContact O-C 3.57Å; I991-F1016 VanDerWaalsContact O-CA 3.23Å; I991-F1016 WeakPolarHBondContact O-CA 3.25Å; I991-L1017 PolarHBondContact N-O 2.97Å; I991-L1017 PolarHBondContact O-N 3.41Å; I991-M1019 HydrophobicContact CD1-CE 3.6Å; I991-M1019 HydrophobicContact CG1-CE 4.48Å
992R95.2Very high88.9Confident79 Ų7956.2 Ų56.230%0.29827%0.269SS..EExtended strand (participates in β ladder)trans-82.8118.4172.4-166.2-177.9-74.3-176.1-7.8109.4R961 E995 D1014 T1015 F1016R961-R992 HydrophobicContact CB-CB 4.29Å; R961-R992 HydrophobicContact CB-CG 4.18Å; R961-R992 VanDerWaalsContact CB-O 3.32Å; R961-R992 WeakPolarHBondContact CB-O 3.16Å; R961-R992 HydrophobicContact CG-CG 4.07Å; R992-E995 VanDerWaalsContact NH1-CD 3.31Å; R992-E995 IonicContact NH1-OE1 3.69Å; R992-E995 PolarHBondContact NH1-OE1 3.37Å; R992-E995 IonicContact NH1-OE2 3.84Å; R992-E995 PolarHBondContact NH1-OE2 3.44Å; R992-D1014 VanDerWaalsContact CD-OD1 3.27Å; R992-D1014 WeakPolarHBondContact CD-OD1 3.44Å; R992-D1014 HydrophobicContact CG-CB 4.49Å; R992-D1014 IonicContact CZ-OD1 3.98Å; R992-D1014 IonicContact CZ-OD2 3.97Å; R992-D1014 VanDerWaalsContact NE-CG 3.33Å; R992-D1014 IonicContact NE-OD1 3.47Å; R992-D1014 PolarHBondContact NE-OD1 3.38Å; R992-D1014 VanDerWaalsContact NE-OD1 3.13Å; R992-D1014 IonicContact NE-OD2 2.68Å; R992-D1014 IonicContact NH1-OD1 3.01Å; R992-D1014 PolarHBondContact NH1-OD1 3.14Å; R992-D1014 IonicContact NH1-OD2 2.65Å; R992-D1014 IonicContact NH2-OD1 3.64Å; R992-D1014 IonicContact NH2-OD2 3.92Å; R992-D1014 PolarHBondContact NH2-OD2 2.84Å; R992-T1015 CarbonylContact C-O 3.58Å; R992-F1016 HydrophobicContact CB-CD1 3.86Å; R992-F1016 HydrophobicContact CB-CE1 3.84Å; R992-F1016 HydrophobicContact CG-CD1 4.12Å; R992-F1016 HydrophobicContact CG-CE1 3.95Å; R992-F1016 HydrophobicContact CG-CZ 4.34Å
993L95.6Very high88.5Confident3 Ų357.3 Ų57.32%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-77.3-53.9177.4-65.5-176.3000111.7L955 A959 N960 R961 V962 I970 T1015 L1017 K1028L955-L993 HydrophobicContact CD2-CD1 4.07Å; A959-L993 CarbonylContact C-O 3.13Å; A959-L993 VanDerWaalsContact C-O 3.26Å; A959-L993 WeakPolarHBondContact CA-O 3.35Å; A959-L993 WeakPolarHBondContact CB-O 3.44Å; N960-L993 PolarHBondContact N-O 3.02Å; R961-L993 WeakPolarHBondContact CB-O 3.36Å; R961-L993 PolarHBondContact N-O 3.14Å; V962-L993 HydrophobicContact CG2-CB 4.39Å; V962-L993 HydrophobicContact CG2-CD2 3.65Å; I970-L993 HydrophobicContact CD1-CD2 3.99Å; L993-T1015 HydrophobicContact CB-CG2 4.37Å; L993-T1015 HydrophobicContact CD1-CG2 4.24Å; L993-T1015 PolarHBondContact N-O 3.07Å; L993-L1017 HydrophobicContact CD1-CB 4.08Å; L993-L1017 HydrophobicContact CD2-CB 3.94Å; L993-L1017 HydrophobicContact CG-CB 3.95Å; L993-K1028 HydrophobicContact CD1-CD 4.27Å; L993-K1028 HydrophobicContact CD1-CG 4.12Å
994S93.8Very high88.3Confident4 Ų458.9 Ų58.93%0.02828%0.281CS..EExtended strand (participates in β ladder)trans-142159.5-17668.30000112.5D958 N960 D1014 T1015D958-S994 VanDerWaalsContact O-CB 3.22Å; D958-S994 WeakPolarHBondContact O-CB 3.38Å; N960-S994 WeakPolarHBondContact OD1-CA 3.39Å; S994-D1014 WeakPolarHBondContact O-CA 3.47Å; S994-T1015 PolarHBondContact N-O 3.01Å; S994-T1015 PolarHBondContact O-N 3.25Å; S994-T1015 VanDerWaalsContact OG-CB 3.26Å; S994-T1015 WeakPolarHBondContact OG-CB 3.38Å; S994-T1015 PolarHBondContact OG-OG1 3.26Å; S994-T1015 VanDerWaalsContact OG-OG1 3.11Å
995E93.5Very high88.1Confident14 Ų1455.8 Ų55.87%0.06527%0.272CS..EExtended strand (participates in β ladder)trans-144.4115.9174-178.6171.1-145.400108.4N960 R961 R992 V1013 D1014 R1033 L1043N960-E995 PolarHBondContact ND2-O 3.39Å; N960-E995 PolarHBondContact OD1-N 2.79Å; N960-E995 PolarHBondContact OD1-O 2.98Å; R961-E995 VanDerWaalsContact CD-OE2 3.26Å; R961-E995 WeakPolarHBondContact CD-OE2 3.47Å; R961-E995 HydrophobicContact CG-CB 3.69Å; R961-E995 IonicContact CZ-OE2 3.52Å; R961-E995 IonicContact NE-OE2 3.54Å; R961-E995 IonicContact NH1-OE2 2.99Å; R961-E995 PolarHBondContact NH1-OE2 2.89Å; R992-E995 VanDerWaalsContact NH1-CD 3.31Å; R992-E995 IonicContact NH1-OE1 3.69Å; R992-E995 PolarHBondContact NH1-OE1 3.37Å; R992-E995 IonicContact NH1-OE2 3.84Å; R992-E995 PolarHBondContact NH1-OE2 3.44Å; E995-V1013 VanDerWaalsContact CA-O 3.31Å; E995-V1013 WeakPolarHBondContact CA-O 3.35Å; E995-D1014 WeakPolarHBondContact CG-OD1 3.37Å; E995-R1033 IonicContact OE1-CZ 2.67Å; E995-R1033 IonicContact OE1-NH1 2.78Å; E995-R1033 PolarHBondContact OE1-NH1 3.29Å; E995-R1033 IonicContact OE1-NH2 3.18Å; E995-R1033 PolarHBondContact OE1-NH2 3.19Å; E995-L1043 HydrophobicContact CG-CD1 4.19Å; E995-L1043 HydrophobicContact CG-CD2 3.85Å
996H92.1Very high88Confident16 Ų1654.5 Ų54.57%0.07428%0.275CS..EExtended strand (participates in β ladder)trans-149.7160.9-1766249.9000112.3E998 V1013 P1044 H1046H996-E998 IonicContact CE1-OE2 3.34Å; H996-E998 PolarHBondContact CE1-OE2 2.9Å; H996-V1013 PolarHBondContact N-O 3.3Å; H996-V1013 PolarHBondContact O-N 3.14Å; H996-P1044 CarbonylContact C-O 3.6Å; H996-P1044 WeakPolarHBondContact CA-O 3.48Å; H996-P1044 HydrophobicContact CB-CG 4.26Å; H996-P1044 WeakPolarHBondContact CB-O 3.36Å; H996-H1046 HydrophobicContact CB-CB 4.39Å; H996-H1046 AromaticContact CD2-CD2 3.69Å; H996-H1046 AromaticContact CD2-CG 3.93Å; H996-H1046 AromaticContact CE1-CG 3.8Å; H996-H1046 AromaticContact NE2-CD2 3.59Å; H996-H1046 AromaticContact NE2-CG 3.66Å
997R92Very high87.6Confident47 Ų4759 Ų5918%0.17729%0.286CS..EExtended strand (participates in β ladder)trans-88.6129.4172.8175.4162.156.1129.5-13.4110.8D1010 L1011 L1040 L1043 P1044 L1045 H1046R997-D1010 VanDerWaalsContact CD-OD2 3.3Å; R997-D1010 WeakPolarHBondContact CD-OD2 3.3Å; R997-D1010 HydrophobicContact CG-CB 4.1Å; R997-D1010 IonicContact CZ-OD2 2.77Å; R997-D1010 IonicContact NE-OD2 2.74Å; R997-D1010 IonicContact NH1-OD2 2.79Å; R997-D1010 PolarHBondContact NH1-OD2 2.87Å; R997-L1011 WeakPolarHBondContact CA-O 3.39Å; R997-L1040 WeakPolarHBondContact CD-O 3.15Å; R997-L1040 PolarHBondContact NE-O 2.91Å; R997-L1043 HydrophobicContact CB-CB 4.02Å; R997-P1044 PolarHBondContact N-O 2.89Å; R997-L1045 HydrophobicContact CG-CD1 4.19Å; R997-H1046 PolarHBondContact O-N 3.28Å
998E90Very high87.3Confident8 Ų858.4 Ų58.44%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-124.1145.9178.5-166.6172.2146.400110.2Q811 H996 V1000 L1011 V1013 K1030Q811-E998 VanDerWaalsContact CD-OE1 3.26Å; Q811-E998 VanDerWaalsContact CG-OE1 3.32Å; Q811-E998 WeakPolarHBondContact CG-OE1 3.43Å; Q811-E998 PolarHBondContact OE1-OE1 2.86Å; H996-E998 IonicContact CE1-OE2 3.34Å; H996-E998 PolarHBondContact CE1-OE2 2.9Å; E998-V1000 HydrophobicContact CG-CG2 4.37Å; E998-L1011 PolarHBondContact N-O 2.7Å; E998-L1011 PolarHBondContact O-N 3.36Å; E998-V1013 HydrophobicContact CB-CG2 3.63Å; E998-K1030 IonicContact OE1-NZ 3.06Å; E998-K1030 PolarHBondContact OE1-NZ 3.19Å; E998-K1030 WeakPolarHBondContact OE2-CE 3.38Å; E998-K1030 IonicContact OE2-NZ 3.13Å; E998-K1030 PolarHBondContact OE2-NZ 3.3Å
999R87.5Confident86.9Confident152 Ų15256.4 Ų56.457%0.57428%0.276SS*.EExtended strand (participates in β ladder)trans-101.9120.7-179.8-56.3-150.4-72.9-170.2-2.7109.9D1010 L1045R999-D1010 WeakPolarHBondContact CD-OD1 3.38Å; R999-D1010 WeakPolarHBondContact CG-OD1 3.43Å; R999-L1045 HydrophobicContact CG-CD1 4.27Å
1000V84.7Confident86.6Confident0 Ų058.6 Ų58.60%029%0.287CS..EExtended strand (participates in β ladder)trans-125.8140.7-162.3170.50000109.5Y809 E998 M1009 L1011 Y1032Y809-V1000 HydrophobicContact CD1-CG1 3.47Å; Y809-V1000 VanDerWaalsContact CD1-CG1 3.47Å; Y809-V1000 HydrophobicContact CE1-CG1 4.4Å; Y809-V1000 HydrophobicContact CG-CG1 3.71Å; E998-V1000 HydrophobicContact CG-CG2 4.37Å; V1000-M1009 PolarHBondContact N-O 3.15Å; V1000-M1009 PolarHBondContact O-N 3.18Å; V1000-L1011 HydrophobicContact CB-CD1 4.14Å; V1000-L1011 HydrophobicContact CG1-CD1 4.15Å; V1000-L1011 HydrophobicContact CG2-CD1 4.22Å; V1000-Y1032 HydrophobicContact CG2-CD1 4.34Å; V1000-Y1032 HydrophobicContact CG2-CE1 4.03Å
1001L84.3Confident86.4Confident58 Ų5852.6 Ų52.630%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-83.6121.2167.5-166.362.6000109.3V810 I812 Q1003 G1006V810-L1001 HydrophobicContact CB-CB 4.47Å; V810-L1001 PolarHBondContact N-O 2.68Å; V810-L1001 PolarHBondContact O-N 3.05Å; V810-L1001 VanDerWaalsContact O-N 3.07Å; I812-L1001 HydrophobicContact CD1-CB 3.81Å; I812-L1001 HydrophobicContact CD1-CD1 4.39Å; I812-L1001 HydrophobicContact CG1-CB 4.04Å; L1001-Q1003 PolarHBondContact O-N 3.09Å; L1001-G1006 VanDerWaalsContact CD1-O 3.29Å; L1001-G1006 WeakPolarHBondContact CD1-O 3.38Å
1002N78.5Confident86.3Confident4 Ų452.5 Ų52.52%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-76.6117.1167.7-167.7-60.2000109.1Q807 N1004 T1005 G1006 Q1007 M1009Q807-N1002 PolarHBondContact OE1-ND2 3.33Å; N1002-N1004 PolarHBondContact O-N 3.32Å; N1002-N1004 WeakPolarHBondContact OD1-CB 3.34Å; N1002-N1004 PolarHBondContact OD1-N 2.91Å; N1002-T1005 WeakPolarHBondContact CB-OG1 3.44Å; N1002-T1005 PolarHBondContact OD1-N 2.86Å; N1002-G1006 WeakPolarHBondContact O-CA 3.45Å; N1002-G1006 PolarHBondContact O-N 3.33Å; N1002-Q1007 PolarHBondContact N-O 3.01Å; N1002-Q1007 VanDerWaalsContact N-O 3.09Å; N1002-M1009 HydrophobicContact CB-CE 3.78Å; N1002-M1009 HydrophobicContact CB-CG 4.34Å; N1002-M1009 HydrophobicContact CB-SD 3.91Å; N1002-M1009 VanDerWaalsContact ND2-CE 3.34Å; N1002-M1009 WeakPolarHBondContact ND2-CE 3.37Å; N1002-M1009 PolarHBondContact ND2-SD 3.3Å
1003Q75.7Confident86.2Confident104 Ų10448.7 Ų48.749%0.48625%0.251SS..THydrogen-bonded Turntrans-62.5-27.1-178.9-72.4-175.56.400113.3T808 V810 L1001T808-Q1003 VanDerWaalsContact CG2-NE2 3.33Å; T808-Q1003 VanDerWaalsContact O-CG 3.25Å; T808-Q1003 WeakPolarHBondContact O-CG 3.31Å; V810-Q1003 HydrophobicContact CG2-CG 3.83Å; L1001-Q1003 PolarHBondContact O-N 3.09Å
1004N77.8Confident86.1Confident124 Ų12449 Ų4966%0.66325%0.252SS*.THydrogen-bonded Turntrans-85.5-31.5-173-57.8-4.8000112.4N1002N1002-N1004 PolarHBondContact O-N 3.32Å; N1002-N1004 WeakPolarHBondContact OD1-CB 3.34Å; N1002-N1004 PolarHBondContact OD1-N 2.91Å
1005T78.9Confident86.1Confident80 Ų8049.4 Ų49.449%0.49125%0.254SS..THydrogen-bonded Turntrans-109.6-13.2-17866.90000114N1002 Q1007N1002-T1005 WeakPolarHBondContact CB-OG1 3.44Å; N1002-T1005 PolarHBondContact OD1-N 2.86Å; T1005-Q1007 PolarHBondContact O-N 2.85Å; T1005-Q1007 VanDerWaalsContact O-N 3.13Å; T1005-Q1007 PolarHBondContact OG1-N 2.63Å
1006G79.8Confident86.2Confident53 Ų5350 Ų5055%0.54626%0.257SS..  trans66.93.6-172.200000114.3L1001 N1002L1001-G1006 VanDerWaalsContact CD1-O 3.29Å; L1001-G1006 WeakPolarHBondContact CD1-O 3.38Å; N1002-G1006 WeakPolarHBondContact O-CA 3.45Å; N1002-G1006 PolarHBondContact O-N 3.33Å
1007Q78.3Confident86.4Confident130 Ų13049.2 Ų49.261%0.60725%0.253SS*.  trans-85.7144-177.7-62.9-176.92.300111.6N1002 T1005N1002-Q1007 PolarHBondContact N-O 3.01Å; N1002-Q1007 VanDerWaalsContact N-O 3.09Å; T1005-Q1007 PolarHBondContact O-N 2.85Å; T1005-Q1007 VanDerWaalsContact O-N 3.13Å; T1005-Q1007 PolarHBondContact OG1-N 2.63Å
1008L82.3Confident86.6Confident119 Ų11948.6 Ų48.662%0.62326%0.255SS*.EExtended strand (participates in β ladder)trans-72.5121.8165.7-89.9161000109.1I812I812-L1008 HydrophobicContact CD1-CD2 3.51Å; I812-L1008 HydrophobicContact CD1-CG 4.29Å
1009M83.7Confident86.8Confident53 Ų5348.2 Ų48.226%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-126.7140.7173.952.1176.75200111.5Y809 V1000 N1002 L1011Y809-M1009 HydrophobicContact CE1-SD 4.02Å; V1000-M1009 PolarHBondContact N-O 3.15Å; V1000-M1009 PolarHBondContact O-N 3.18Å; N1002-M1009 HydrophobicContact CB-CE 3.78Å; N1002-M1009 HydrophobicContact CB-CG 4.34Å; N1002-M1009 HydrophobicContact CB-SD 3.91Å; N1002-M1009 VanDerWaalsContact ND2-CE 3.34Å; N1002-M1009 WeakPolarHBondContact ND2-CE 3.37Å; N1002-M1009 PolarHBondContact ND2-SD 3.3Å; M1009-L1011 HydrophobicContact CG-CG 4.38Å; M1009-L1011 HydrophobicContact SD-CD1 4.35Å; M1009-L1011 HydrophobicContact SD-CD2 4.29Å; M1009-L1011 HydrophobicContact SD-CG 4.43Å
1010D87.2Confident87.1Confident47 Ų4742.3 Ų42.325%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-83.3124.1171.1-77.122.7000108.1R997 R999 L1040R997-D1010 VanDerWaalsContact CD-OD2 3.3Å; R997-D1010 WeakPolarHBondContact CD-OD2 3.3Å; R997-D1010 HydrophobicContact CG-CB 4.1Å; R997-D1010 IonicContact CZ-OD2 2.77Å; R997-D1010 IonicContact NE-OD2 2.74Å; R997-D1010 IonicContact NH1-OD2 2.79Å; R997-D1010 PolarHBondContact NH1-OD2 2.87Å; R999-D1010 WeakPolarHBondContact CD-OD1 3.38Å; R999-D1010 WeakPolarHBondContact CG-OD1 3.43Å; D1010-L1040 HydrophobicContact CB-CD1 4.35Å; D1010-L1040 VanDerWaalsContact O-CD1 3.29Å; D1010-L1040 WeakPolarHBondContact O-CD1 3.46Å
1011L89.7Confident87.6Confident7 Ų742.9 Ų42.94%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-121.4149.4177.1-67.2176.3000110.7Y809 R997 E998 V1000 M1009 Y1032Y809-L1011 HydrophobicContact CD1-CD1 4.03Å; Y809-L1011 HydrophobicContact CD2-CD1 4.09Å; Y809-L1011 HydrophobicContact CE1-CD1 3.72Å; Y809-L1011 HydrophobicContact CE2-CD1 3.77Å; Y809-L1011 HydrophobicContact CG-CD1 4.21Å; R997-L1011 WeakPolarHBondContact CA-O 3.39Å; E998-L1011 PolarHBondContact N-O 2.7Å; E998-L1011 PolarHBondContact O-N 3.36Å; V1000-L1011 HydrophobicContact CB-CD1 4.14Å; V1000-L1011 HydrophobicContact CG1-CD1 4.15Å; V1000-L1011 HydrophobicContact CG2-CD1 4.22Å; M1009-L1011 HydrophobicContact CG-CG 4.38Å; M1009-L1011 HydrophobicContact SD-CD1 4.35Å; M1009-L1011 HydrophobicContact SD-CD2 4.29Å; M1009-L1011 HydrophobicContact SD-CG 4.43Å; L1011-Y1032 HydrophobicContact CD1-CD1 4.37Å
1012A92.3Very high87.9Confident0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-81.3135169.700000108.7R1033 D1035 L1040 L1043A1012-R1033 HydrophobicContact CB-CG 3.66Å; A1012-R1033 PolarHBondContact N-O 3.29Å; A1012-R1033 VanDerWaalsContact N-O 3.09Å; A1012-R1033 PolarHBondContact O-N 3.38Å; A1012-D1035 HydrophobicContact CB-CB 4.25Å; A1012-D1035 WeakPolarHBondContact CB-OD2 3.47Å; A1012-L1040 HydrophobicContact CB-CD2 3.86Å; A1012-L1040 VanDerWaalsContact N-CD2 3.3Å; A1012-L1043 HydrophobicContact CB-CD1 3.55Å
1013V92.6Very high88.6Confident0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-125.5116.7-177.6-179.40000108.8E995 H996 E998 K1030 C1031 Y1032E995-V1013 VanDerWaalsContact CA-O 3.31Å; E995-V1013 WeakPolarHBondContact CA-O 3.35Å; H996-V1013 PolarHBondContact N-O 3.3Å; H996-V1013 PolarHBondContact O-N 3.14Å; E998-V1013 HydrophobicContact CB-CG2 3.63Å; V1013-K1030 HydrophobicContact CG1-CD 4.18Å; V1013-K1030 HydrophobicContact CG1-CG 3.59Å; V1013-C1031 WeakPolarHBondContact CA-O 3.29Å; V1013-Y1032 HydrophobicContact CG2-CD1 3.53Å; V1013-Y1032 HydrophobicContact CG2-CE1 3.74Å; V1013-Y1032 HydrophobicContact CG2-CG 4.48Å
1014D93.6Very high89.4Confident10 Ų1042.9 Ų42.95%0.05325%0.251CS..EExtended strand (participates in β ladder)trans-96.6128.8168.4-72.7-40.9000109.2R992 S994 E995 F1016 C1031 R1033R992-D1014 VanDerWaalsContact CD-OD1 3.27Å; R992-D1014 WeakPolarHBondContact CD-OD1 3.44Å; R992-D1014 HydrophobicContact CG-CB 4.49Å; R992-D1014 IonicContact CZ-OD1 3.98Å; R992-D1014 IonicContact CZ-OD2 3.97Å; R992-D1014 VanDerWaalsContact NE-CG 3.33Å; R992-D1014 IonicContact NE-OD1 3.47Å; R992-D1014 PolarHBondContact NE-OD1 3.38Å; R992-D1014 VanDerWaalsContact NE-OD1 3.13Å; R992-D1014 IonicContact NE-OD2 2.68Å; R992-D1014 IonicContact NH1-OD1 3.01Å; R992-D1014 PolarHBondContact NH1-OD1 3.14Å; R992-D1014 IonicContact NH1-OD2 2.65Å; R992-D1014 IonicContact NH2-OD1 3.64Å; R992-D1014 IonicContact NH2-OD2 3.92Å; R992-D1014 PolarHBondContact NH2-OD2 2.84Å; S994-D1014 WeakPolarHBondContact O-CA 3.47Å; E995-D1014 WeakPolarHBondContact CG-OD1 3.37Å; D1014-F1016 HydrophobicContact CB-CD2 4.01Å; D1014-F1016 HydrophobicContact CB-CE2 3.29Å; D1014-F1016 HydrophobicContact CB-CZ 3.77Å; D1014-C1031 PolarHBondContact N-O 3.49Å; D1014-C1031 PolarHBondContact O-N 3.18Å; D1014-R1033 IonicContact OD1-NH1 2.72Å; D1014-R1033 PolarHBondContact OD1-NH1 3.45Å; D1014-R1033 IonicContact OD2-CZ 2.74Å; D1014-R1033 IonicContact OD2-NH1 3.66Å; D1014-R1033 PolarHBondContact OD2-NH1 3.23Å
1015T94.5Very high90.1Very high11 Ų1144.1 Ų44.17%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-100.9134.5164.3-53.50000109.3R992 L993 S994 K1028 V1029R992-T1015 CarbonylContact C-O 3.58Å; L993-T1015 HydrophobicContact CB-CG2 4.37Å; L993-T1015 HydrophobicContact CD1-CG2 4.24Å; L993-T1015 PolarHBondContact N-O 3.07Å; S994-T1015 PolarHBondContact N-O 3.01Å; S994-T1015 PolarHBondContact O-N 3.25Å; S994-T1015 VanDerWaalsContact OG-CB 3.26Å; S994-T1015 WeakPolarHBondContact OG-CB 3.38Å; S994-T1015 PolarHBondContact OG-OG1 3.26Å; S994-T1015 VanDerWaalsContact OG-OG1 3.11Å; T1015-K1028 HydrophobicContact CG2-CD 4.29Å; T1015-K1028 HydrophobicContact CG2-CG 3.7Å; T1015-V1029 WeakPolarHBondContact CA-O 3.43Å
1016F95.3Very high90.9Very high26 Ų2645.3 Ų45.311%0.11425%0.247CC..EExtended strand (participates in β ladder)trans-120.9151.2177.2-61.5-95.8000111.5R990 I991 R992 D1014 K1028 V1029 C1031R990-F1016 HydrophobicContact CG-CB 4.07Å; R990-F1016 HydrophobicContact CG-CD1 3.94Å; R990-F1016 HydrophobicContact CG-CG 4.32Å; R990-F1016 VanDerWaalsContact NE-CD1 3.32Å; R990-F1016 VanDerWaalsContact NE-CG 3.31Å; I991-F1016 CarbonylContact O-C 3.57Å; I991-F1016 VanDerWaalsContact O-CA 3.23Å; I991-F1016 WeakPolarHBondContact O-CA 3.25Å; R992-F1016 HydrophobicContact CB-CD1 3.86Å; R992-F1016 HydrophobicContact CB-CE1 3.84Å; R992-F1016 HydrophobicContact CG-CD1 4.12Å; R992-F1016 HydrophobicContact CG-CE1 3.95Å; R992-F1016 HydrophobicContact CG-CZ 4.34Å; D1014-F1016 HydrophobicContact CB-CD2 4.01Å; D1014-F1016 HydrophobicContact CB-CE2 3.29Å; D1014-F1016 HydrophobicContact CB-CZ 3.77Å; F1016-K1028 CarbonylContact O-C 3.57Å; F1016-K1028 WeakPolarHBondContact O-CA 3.41Å; F1016-V1029 PolarHBondContact N-O 2.84Å; F1016-V1029 PolarHBondContact O-N 3.44Å; F1016-C1031 HydrophobicContact CE2-CB 4.22Å
1017L96.2Very high91.6Very high0 Ų048.7 Ų48.70%025%0.248CC..EExtended strand (participates in β ladder)trans-105.6122.5161.2-168.874.5000108.2L955 I970 R990 I991 L993 M1019 Y1026 E1027L955-L1017 HydrophobicContact CD1-CD1 4.18Å; L955-L1017 HydrophobicContact CD1-CD2 4.27Å; L955-L1017 HydrophobicContact CD2-CD1 4.01Å; I970-L1017 HydrophobicContact CB-CD2 4.41Å; I970-L1017 HydrophobicContact CD1-CD2 3.95Å; I970-L1017 HydrophobicContact CG1-CD2 3.8Å; I970-L1017 HydrophobicContact CG2-CD2 3.82Å; R990-L1017 WeakPolarHBondContact CA-O 3.38Å; I991-L1017 PolarHBondContact N-O 2.97Å; I991-L1017 PolarHBondContact O-N 3.41Å; L993-L1017 HydrophobicContact CD1-CB 4.08Å; L993-L1017 HydrophobicContact CD2-CB 3.94Å; L993-L1017 HydrophobicContact CG-CB 3.95Å; L1017-M1019 HydrophobicContact CD2-CG 3.8Å; L1017-M1019 HydrophobicContact CD2-SD 3.73Å; L1017-M1019 HydrophobicContact CG-CG 3.99Å; L1017-Y1026 HydrophobicContact CD1-CD2 3.9Å; L1017-E1027 WeakPolarHBondContact CA-O 3.41Å
1018T95Very high92.3Very high34 Ų3447 Ų4721%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-97.6131.3167.9-55.60000107.7I988 Y1026 E1027I988-T1018 HydrophobicContact CG2-CG2 3.47Å; I988-T1018 VanDerWaalsContact CG2-CG2 3.47Å; T1018-Y1026 CarbonylContact O-C 3.52Å; T1018-Y1026 WeakPolarHBondContact O-CA 3.4Å; T1018-Y1026 WeakPolarHBondContact O-CB 3.11Å; T1018-E1027 PolarHBondContact N-O 3.3Å; T1018-E1027 PolarHBondContact O-N 3.39Å
1019M94.9Very high92.9Very high0 Ų043.3 Ų43.30%022%0.221CC..EExtended strand (participates in β ladder)trans-126.7120.3179.4-60.8-177.4-56.800109M969 I970 F973 I988 T989 I991 L1017 Y1021M969-M1019 HydrophobicContact CG-CE 4.03Å; M969-M1019 HydrophobicContact SD-CE 4.03Å; I970-M1019 HydrophobicContact CB-SD 4.47Å; I970-M1019 HydrophobicContact CG1-CE 4.2Å; I970-M1019 HydrophobicContact CG1-SD 3.95Å; F973-M1019 HydrophobicContact CB-SD 3.82Å; F973-M1019 HydrophobicContact CD1-CB 4.28Å; F973-M1019 HydrophobicContact CD1-CG 4.16Å; F973-M1019 HydrophobicContact CD1-SD 4.1Å; F973-M1019 HydrophobicContact CD2-CB 3.98Å; F973-M1019 HydrophobicContact CD2-SD 4.36Å; F973-M1019 HydrophobicContact CE1-CB 4.17Å; F973-M1019 HydrophobicContact CE1-CG 4.36Å; F973-M1019 HydrophobicContact CE2-CB 3.83Å; F973-M1019 HydrophobicContact CG-CB 4.19Å; F973-M1019 HydrophobicContact CG-CG 4.26Å; F973-M1019 HydrophobicContact CG-SD 3.83Å; F973-M1019 HydrophobicContact CZ-CB 3.93Å; I988-M1019 CarbonylContact C-O 3.28Å; I988-M1019 WeakPolarHBondContact CA-O 3.33Å; T989-M1019 PolarHBondContact N-O 3.48Å; T989-M1019 PolarHBondContact O-N 2.96Å; I991-M1019 HydrophobicContact CD1-CE 3.6Å; I991-M1019 HydrophobicContact CG1-CE 4.48Å; L1017-M1019 HydrophobicContact CD2-CG 3.8Å; L1017-M1019 HydrophobicContact CD2-SD 3.73Å; L1017-M1019 HydrophobicContact CG-CG 3.99Å; M1019-Y1021 HydrophobicContact CB-CE2 4.36Å
1020D94.6Very high93.4Very high28 Ų2844.3 Ų44.315%0.1522%0.224CC..EExtended strand (participates in β ladder)trans-102.7108.4177.3172.415.7000109.9F973 I988 S1022 T1023 G1024 K1025F973-D1020 WeakPolarHBondContact CZ-O 3.44Å; I988-D1020 HydrophobicContact CG1-CB 4.11Å; D1020-S1022 VanDerWaalsContact CG-OG 3.32Å; D1020-S1022 PolarHBondContact O-N 2.79Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.2Å; D1020-S1022 PolarHBondContact OD1-N 3.13Å; D1020-S1022 PolarHBondContact OD1-OG 3.5Å; D1020-S1022 PolarHBondContact OD2-OG 2.89Å; D1020-T1023 PolarHBondContact OD1-N 3.48Å; D1020-T1023 VanDerWaalsContact OD2-CB 3.32Å; D1020-T1023 WeakPolarHBondContact OD2-CB 3.46Å; D1020-T1023 WeakPolarHBondContact OD2-CG2 3.33Å; D1020-T1023 PolarHBondContact OD2-N 2.8Å; D1020-T1023 PolarHBondContact OD2-OG1 2.79Å; D1020-G1024 VanDerWaalsContact O-CA 3.31Å; D1020-G1024 WeakPolarHBondContact O-CA 3.48Å; D1020-G1024 PolarHBondContact O-N 3Å; D1020-K1025 PolarHBondContact N-O 2.87Å; D1020-K1025 PolarHBondContact O-N 3.48Å
1021Y94.4Very high93.6Very high13 Ų1343.9 Ų43.95%0.05122%0.224CC..THydrogen-bonded Turntrans-70.9-19.8-178.9-71.4-95000112.8M969 F973 R978 D979 N980 Q987 M1019M969-Y1021 VanDerWaalsContact CG-OH 3.23Å; M969-Y1021 WeakPolarHBondContact CG-OH 3.42Å; F973-Y1021 AromaticContact CD2-CD1 3.82Å; F973-Y1021 HydrophobicContact CD2-CD1 3.82Å; F973-Y1021 HydrophobicContact CD2-CD2 4.4Å; F973-Y1021 AromaticContact CD2-CE1 3.59Å; F973-Y1021 HydrophobicContact CD2-CE1 3.59Å; F973-Y1021 HydrophobicContact CD2-CE2 4.17Å; F973-Y1021 HydrophobicContact CD2-CG 4.24Å; F973-Y1021 AromaticContact CD2-CZ 3.77Å; F973-Y1021 AromaticContact CE2-CD1 3.99Å; F973-Y1021 HydrophobicContact CE2-CD1 3.99Å; F973-Y1021 HydrophobicContact CE2-CD2 4.19Å; F973-Y1021 HydrophobicContact CE2-CE1 4.2Å; F973-Y1021 HydrophobicContact CE2-CE2 4.36Å; F973-Y1021 AromaticContact CE2-CG 4Å; F973-Y1021 HydrophobicContact CE2-CG 4Å; R978-Y1021 WeakPolarHBondContact O-CD1 3.45Å; D979-Y1021 VanDerWaalsContact O-CE1 3.31Å; D979-Y1021 WeakPolarHBondContact O-CE1 3.34Å; N980-Y1021 HydrophobicContact CB-CD1 3.88Å; N980-Y1021 HydrophobicContact CB-CD2 3.77Å; N980-Y1021 HydrophobicContact CB-CE1 4.11Å; N980-Y1021 HydrophobicContact CB-CE2 4.02Å; N980-Y1021 HydrophobicContact CB-CG 3.7Å; Q987-Y1021 WeakPolarHBondContact O-CB 3.47Å; Q987-Y1021 PolarHBondContact O-N 3.27Å; M1019-Y1021 HydrophobicContact CB-CE2 4.36Å
1022S91.2Very high93.7Very high73 Ų7347.2 Ų47.251%0.5124%0.237SC..THydrogen-bonded Turntrans-77.4-40.3178.1750000112.9D1020D1020-S1022 VanDerWaalsContact CG-OG 3.32Å; D1020-S1022 PolarHBondContact O-N 2.79Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.2Å; D1020-S1022 PolarHBondContact OD1-N 3.13Å; D1020-S1022 PolarHBondContact OD1-OG 3.5Å; D1020-S1022 PolarHBondContact OD2-OG 2.89Å
1023T92.9Very high93.6Very high78 Ų7850.6 Ų50.648%0.47925%0.25SC..THydrogen-bonded Turntrans-100.3-11.5178.366.20000114.1D1020 K1025D1020-T1023 PolarHBondContact OD1-N 3.48Å; D1020-T1023 VanDerWaalsContact OD2-CB 3.32Å; D1020-T1023 WeakPolarHBondContact OD2-CB 3.46Å; D1020-T1023 WeakPolarHBondContact OD2-CG2 3.33Å; D1020-T1023 PolarHBondContact OD2-N 2.8Å; D1020-T1023 PolarHBondContact OD2-OG1 2.79Å; T1023-K1025 PolarHBondContact O-N 3.19Å; T1023-K1025 WeakPolarHBondContact OG1-CB 3.42Å; T1023-K1025 WeakPolarHBondContact OG1-CG 3.49Å; T1023-K1025 PolarHBondContact OG1-N 2.91Å
1024G92.1Very high93.2Very high15 Ų1554.9 Ų54.916%0.15528%0.28CS..THydrogen-bonded Turntrans70.212.5-173.700000114.3D1020D1020-G1024 VanDerWaalsContact O-CA 3.31Å; D1020-G1024 WeakPolarHBondContact O-CA 3.48Å; D1020-G1024 PolarHBondContact O-N 3Å
1025K93.4Very high92.8Very high150 Ų15056.8 Ų56.865%0.65229%0.29SS*.EExtended strand (participates in β ladder)trans-91.3150.3-179.9-64.9179.41791790111.6F973 D1020 T1023F973-K1025 VanDerWaalsContact CZ-O 3.32Å; F973-K1025 WeakPolarHBondContact CZ-O 3.2Å; D1020-K1025 PolarHBondContact N-O 2.87Å; D1020-K1025 PolarHBondContact O-N 3.48Å; T1023-K1025 PolarHBondContact O-N 3.19Å; T1023-K1025 WeakPolarHBondContact OG1-CB 3.42Å; T1023-K1025 WeakPolarHBondContact OG1-CG 3.49Å; T1023-K1025 PolarHBondContact OG1-N 2.91Å
1026Y94.3Very high92.4Very high105 Ų10559.8 Ų59.841%0.41231%0.308SS..EExtended strand (participates in β ladder)trans-133.6155.817264.8-90.4000111.4T951 F973 L1017 T1018T951-Y1026 HydrophobicContact CG2-CE2 4.41Å; T951-Y1026 WeakPolarHBondContact CG2-OH 3.39Å; F973-Y1026 HydrophobicContact CD1-CD1 4.4Å; F973-Y1026 HydrophobicContact CE1-CD1 4.04Å; F973-Y1026 HydrophobicContact CE1-CG 4.43Å; L1017-Y1026 HydrophobicContact CD1-CD2 3.9Å; T1018-Y1026 CarbonylContact O-C 3.52Å; T1018-Y1026 WeakPolarHBondContact O-CA 3.4Å; T1018-Y1026 WeakPolarHBondContact O-CB 3.11Å
1027E94.6Very high91.7Very high123 Ų12363.3 Ų63.358%0.57533%0.334SS*.EExtended strand (participates in β ladder)trans-141135.5-178.8-170.4-174.5-175.100110.8L1017 T1018 V1029L1017-E1027 WeakPolarHBondContact CA-O 3.41Å; T1018-E1027 PolarHBondContact N-O 3.3Å; T1018-E1027 PolarHBondContact O-N 3.39Å; E1027-V1029 HydrophobicContact CB-CG2 4.42Å; E1027-V1029 HydrophobicContact CG-CG2 3.84Å
1028K94.3Very high91.1Very high94 Ų9470.5 Ų70.541%0.40937%0.367SS..EExtended strand (participates in β ladder)trans-98.7102.5175.1-176.8177.2-179.4177.40109.5L955 D958 L993 T1015 F1016L955-K1028 HydrophobicContact CD2-CD 4Å; D958-K1028 IonicContact OD2-NZ 3.72Å; L993-K1028 HydrophobicContact CD1-CD 4.27Å; L993-K1028 HydrophobicContact CD1-CG 4.12Å; T1015-K1028 HydrophobicContact CG2-CD 4.29Å; T1015-K1028 HydrophobicContact CG2-CG 3.7Å; F1016-K1028 CarbonylContact O-C 3.57Å; F1016-K1028 WeakPolarHBondContact O-CA 3.41Å
1029V93.6Very high90.6Very high42 Ų4273 Ų7326%0.25538%0.379SS..EExtended strand (participates in β ladder)trans-102.9123.4-174.3-174.50000110.7T1015 F1016 E1027T1015-V1029 WeakPolarHBondContact CA-O 3.43Å; F1016-V1029 PolarHBondContact N-O 2.84Å; F1016-V1029 PolarHBondContact O-N 3.44Å; E1027-V1029 HydrophobicContact CB-CG2 4.42Å; E1027-V1029 HydrophobicContact CG-CG2 3.84Å
1030K93.8Very high90.2Very high74 Ų7473.8 Ų73.832%0.32238%0.383SS..EExtended strand (participates in β ladder)trans-93124.9173.2-169.7-174.6-174.4-168.70109.3E998 V1013 Y1032E998-K1030 IonicContact OE1-NZ 3.06Å; E998-K1030 PolarHBondContact OE1-NZ 3.19Å; E998-K1030 WeakPolarHBondContact OE2-CE 3.38Å; E998-K1030 IonicContact OE2-NZ 3.13Å; E998-K1030 PolarHBondContact OE2-NZ 3.3Å; V1013-K1030 HydrophobicContact CG1-CD 4.18Å; V1013-K1030 HydrophobicContact CG1-CG 3.59Å; K1030-Y1032 HydrophobicContact CD-CE2 4.47Å; K1030-Y1032 WeakPolarHBondContact CE-OH 3.42Å; K1030-Y1032 PolarHBondContact NZ-OH 2.89Å
1031C91.4Very high89.7Confident39 Ų3977 Ų7726%0.26440%0.404SS..EExtended strand (participates in β ladder)trans-120.8125.7179.5-60.40000110.5V1013 D1014 F1016V1013-C1031 WeakPolarHBondContact CA-O 3.29Å; D1014-C1031 PolarHBondContact N-O 3.49Å; D1014-C1031 PolarHBondContact O-N 3.18Å; F1016-C1031 HydrophobicContact CE2-CB 4.22Å
1032Y91.9Very high89.4Confident76 Ų7682.5 Ų82.530%0.29843%0.434SS..EExtended strand (participates in β ladder)trans-88.7140.5169.7-57.1-90.3000109.9Y809 V1000 L1011 V1013 K1030Y809-Y1032 HydrophobicContact CD2-CD2 4.12Å; Y809-Y1032 HydrophobicContact CD2-CG 4.02Å; V1000-Y1032 HydrophobicContact CG2-CD1 4.34Å; V1000-Y1032 HydrophobicContact CG2-CE1 4.03Å; L1011-Y1032 HydrophobicContact CD1-CD1 4.37Å; V1013-Y1032 HydrophobicContact CG2-CD1 3.53Å; V1013-Y1032 HydrophobicContact CG2-CE1 3.74Å; V1013-Y1032 HydrophobicContact CG2-CG 4.48Å; K1030-Y1032 HydrophobicContact CD-CE2 4.47Å; K1030-Y1032 WeakPolarHBondContact CE-OH 3.42Å; K1030-Y1032 PolarHBondContact NZ-OH 2.89Å
1033R90.2Very high89.2Confident71 Ų7180.2 Ų80.227%0.26842%0.416SS..EExtended strand (participates in β ladder)trans-137.8148170.974.6-176-161.9-127.9-4.7110.6E995 A1012 D1014 D1035E995-R1033 IonicContact OE1-CZ 2.67Å; E995-R1033 IonicContact OE1-NH1 2.78Å; E995-R1033 PolarHBondContact OE1-NH1 3.29Å; E995-R1033 IonicContact OE1-NH2 3.18Å; E995-R1033 PolarHBondContact OE1-NH2 3.19Å; A1012-R1033 HydrophobicContact CB-CG 3.66Å; A1012-R1033 PolarHBondContact N-O 3.29Å; A1012-R1033 VanDerWaalsContact N-O 3.09Å; A1012-R1033 PolarHBondContact O-N 3.38Å; D1014-R1033 IonicContact OD1-NH1 2.72Å; D1014-R1033 PolarHBondContact OD1-NH1 3.45Å; D1014-R1033 IonicContact OD2-CZ 2.74Å; D1014-R1033 IonicContact OD2-NH1 3.66Å; D1014-R1033 PolarHBondContact OD2-NH1 3.23Å; R1033-D1035 IonicContact CZ-OD2 2.78Å; R1033-D1035 IonicContact NE-OD1 3.11Å; R1033-D1035 IonicContact NE-OD2 3.44Å; R1033-D1035 PolarHBondContact NE-OD2 3.14Å; R1033-D1035 IonicContact NH2-OD2 2.95Å; R1033-D1035 PolarHBondContact NH2-OD2 3.44Å
1034S85.9Confident88.9Confident91 Ų9179.7 Ų79.764%0.63641%0.414SS*.  trans-84.2122.5170.7-53.20000109.1
1035D85Confident88.4Confident50 Ų5083.3 Ų83.327%0.26743%0.43SS..  trans-117162.2171-86.3-35.1000109.5A1012 R1033 N1039 L1040A1012-D1035 HydrophobicContact CB-CB 4.25Å; A1012-D1035 WeakPolarHBondContact CB-OD2 3.47Å; R1033-D1035 IonicContact CZ-OD2 2.78Å; R1033-D1035 IonicContact NE-OD1 3.11Å; R1033-D1035 IonicContact NE-OD2 3.44Å; R1033-D1035 PolarHBondContact NE-OD2 3.14Å; R1033-D1035 IonicContact NH2-OD2 2.95Å; R1033-D1035 PolarHBondContact NH2-OD2 3.44Å; D1035-N1039 HydrophobicContact CB-CB 4.15Å; D1035-L1040 HydrophobicContact CB-CD2 4.05Å; D1035-L1040 HydrophobicContact CB-CG 3.95Å; D1035-L1040 WeakPolarHBondContact O-CD1 3.44Å
1036T85.5Confident87.4Confident74 Ų7479.1 Ų79.145%0.45441%0.412SS..  trans-62.6150.3171.757.20000111.1E1038 N1039 L1040T1036-E1038 PolarHBondContact O-N 3Å; T1036-E1038 VanDerWaalsContact O-N 3.16Å; T1036-N1039 PolarHBondContact O-N 3.24Å; T1036-N1039 PolarHBondContact OG1-ND2 3.34Å; T1036-L1040 WeakPolarHBondContact O-CG 3.42Å; T1036-L1040 PolarHBondContact O-N 3.46Å
1037P80.5Confident85.6Confident99 Ų9978.5 Ų78.564%0.64342%0.423SS*.Hα-helixtrans-55.7-35.4-178.620.4-32.8000113.4L1040 V1041P1037-L1040 PolarHBondContact O-N 3.13Å; P1037-V1041 WeakPolarHBondContact O-CG2 3.3Å; P1037-V1041 PolarHBondContact O-N 2.89Å
1038E83.4Confident83.6Confident152 Ų15275 Ų7571%0.7141%0.412SS*.Hα-helixtrans-59.7-46.2174-61.7177.8-17400112.6T1036 V1041 N1042T1036-E1038 PolarHBondContact O-N 3Å; T1036-E1038 VanDerWaalsContact O-N 3.16Å; E1038-V1041 PolarHBondContact O-N 2.81Å; E1038-N1042 PolarHBondContact O-N 2.92Å; E1038-N1042 PolarHBondContact O-ND2 2.62Å; E1038-N1042 VanDerWaalsContact O-ND2 3.07Å
1039N85.5Confident80.7Confident85 Ų8580.4 Ų80.446%0.45544%0.443SS..Hα-helixtrans-69.8-37.9177.4-78.4-57.8000111.6D1035 T1036 V1041 N1042 L1043D1035-N1039 HydrophobicContact CB-CB 4.15Å; T1036-N1039 PolarHBondContact O-N 3.24Å; T1036-N1039 PolarHBondContact OG1-ND2 3.34Å; N1039-V1041 VanDerWaalsContact C-N 3.34Å; N1039-V1041 PolarHBondContact O-N 3.38Å; N1039-N1042 WeakPolarHBondContact O-CB 3.48Å; N1039-N1042 PolarHBondContact O-N 2.98Å; N1039-L1043 PolarHBondContact O-N 2.6Å
1040L86.5Confident80Confident17 Ų1782.3 Ų82.39%0.08945%0.453CS..Hα-helixtrans-60-41.7174.3-73.4171.8000112.1R997 D1010 A1012 D1035 T1036 P1037 N1042 L1043R997-L1040 WeakPolarHBondContact CD-O 3.15Å; R997-L1040 PolarHBondContact NE-O 2.91Å; D1010-L1040 HydrophobicContact CB-CD1 4.35Å; D1010-L1040 VanDerWaalsContact O-CD1 3.29Å; D1010-L1040 WeakPolarHBondContact O-CD1 3.46Å; A1012-L1040 HydrophobicContact CB-CD2 3.86Å; A1012-L1040 VanDerWaalsContact N-CD2 3.3Å; D1035-L1040 HydrophobicContact CB-CD2 4.05Å; D1035-L1040 HydrophobicContact CB-CG 3.95Å; D1035-L1040 WeakPolarHBondContact O-CD1 3.44Å; T1036-L1040 WeakPolarHBondContact O-CG 3.42Å; T1036-L1040 PolarHBondContact O-N 3.46Å; P1037-L1040 PolarHBondContact O-N 3.13Å; L1040-N1042 VanDerWaalsContact C-N 3.27Å; L1040-N1042 PolarHBondContact O-N 3.17Å; L1040-L1043 PolarHBondContact O-N 3.39Å; L1040-L1043 VanDerWaalsContact O-N 3.15Å
1041V84.4Confident79.3Confident96 Ų9682.7 Ų82.758%0.58246%0.46SS*.Hα-helixtrans-63.1-33.1176.8167.90000112.3P1037 E1038 N1039 L1043P1037-V1041 WeakPolarHBondContact O-CG2 3.3Å; P1037-V1041 PolarHBondContact O-N 2.89Å; E1038-V1041 PolarHBondContact O-N 2.81Å; N1039-V1041 VanDerWaalsContact C-N 3.34Å; N1039-V1041 PolarHBondContact O-N 3.38Å; V1041-L1043 VanDerWaalsContact C-N 3.27Å; V1041-L1043 PolarHBondContact O-N 2.94Å
1042N86.8Confident78.6Confident128 Ų12885.2 Ų85.268%0.68447%0.471SS*.Hα-helixtrans-73.2-13.3176.5-68-41000114.2E1038 N1039 L1040E1038-N1042 PolarHBondContact O-N 2.92Å; E1038-N1042 PolarHBondContact O-ND2 2.62Å; E1038-N1042 VanDerWaalsContact O-ND2 3.07Å; N1039-N1042 WeakPolarHBondContact O-CB 3.48Å; N1039-N1042 PolarHBondContact O-N 2.98Å; L1040-N1042 VanDerWaalsContact C-N 3.27Å; L1040-N1042 PolarHBondContact O-N 3.17Å
1043L87.8Confident77.8Confident25 Ų2585.7 Ų85.713%0.13148%0.481CS..SBendtrans-87.4140.6175.7-63.4-172.6000111.7E995 R997 A1012 N1039 L1040 V1041 L1045E995-L1043 HydrophobicContact CG-CD1 4.19Å; E995-L1043 HydrophobicContact CG-CD2 3.85Å; R997-L1043 HydrophobicContact CB-CB 4.02Å; A1012-L1043 HydrophobicContact CB-CD1 3.55Å; N1039-L1043 PolarHBondContact O-N 2.6Å; L1040-L1043 PolarHBondContact O-N 3.39Å; L1040-L1043 VanDerWaalsContact O-N 3.15Å; V1041-L1043 VanDerWaalsContact C-N 3.27Å; V1041-L1043 PolarHBondContact O-N 2.94Å; L1043-L1045 PolarHBondContact O-N 3.11Å
1044P86.2Confident77.1Confident67 Ų6786.6 Ų86.644%0.43549%0.494SS..PPolyproline II helixtrans-62.3137175.627-33.2000109.9N960 H996 R997N960-P1044 WeakPolarHBondContact ND2-CG 2.96Å; H996-P1044 CarbonylContact C-O 3.6Å; H996-P1044 WeakPolarHBondContact CA-O 3.48Å; H996-P1044 HydrophobicContact CB-CG 4.26Å; H996-P1044 WeakPolarHBondContact CB-O 3.36Å; R997-P1044 PolarHBondContact N-O 2.89Å
1045L81.6Confident76.5Confident92 Ų9286.3 Ų86.348%0.48249%0.485SS..BIsolated β-bridgetrans-71.9128.7175.3-168.377.7000109.4R997 R999 L1043 S1047R997-L1045 HydrophobicContact CG-CD1 4.19Å; R999-L1045 HydrophobicContact CG-CD1 4.27Å; L1043-L1045 PolarHBondContact O-N 3.11Å; L1045-S1047 PolarHBondContact O-N 2.81Å; L1045-S1047 VanDerWaalsContact O-N 3.07Å
1046H72.8Confident75.9Confident61 Ų6188.9 Ų88.928%0.28250%0.5SS..  trans-69.6104.8175.7-174.1-125.9000110.7H996 R997 S1048H996-H1046 HydrophobicContact CB-CB 4.39Å; H996-H1046 AromaticContact CD2-CD2 3.69Å; H996-H1046 AromaticContact CD2-CG 3.93Å; H996-H1046 AromaticContact CE1-CG 3.8Å; H996-H1046 AromaticContact NE2-CD2 3.59Å; H996-H1046 AromaticContact NE2-CG 3.66Å; R997-H1046 PolarHBondContact O-N 3.28Å; H1046-S1048 VanDerWaalsContact C-N 3.34Å; H1046-S1048 PolarHBondContact CE1-OG 3.03Å; H1046-S1048 VanDerWaalsContact CE1-OG 3.28Å; H1046-S1048 PolarHBondContact ND1-OG 3.15Å; H1046-S1048 VanDerWaalsContact ND1-OG 3.14Å; H1046-S1048 PolarHBondContact O-N 3.37Å
1047S57.1Low75.1Confident93 Ų9390.1 Ų90.165%0.6550%0.504SS*.  trans-78.980175.856.60000110.7L1045 I1049L1045-S1047 PolarHBondContact O-N 2.81Å; L1045-S1047 VanDerWaalsContact O-N 3.07Å; S1047-I1049 PolarHBondContact O-N 2.87Å; S1047-I1049 VanDerWaalsContact O-N 3.13Å
1048S52Low74.7Confident49 Ų4989.3 Ų89.334%0.34349%0.492SS..  trans-67.1104.9163.5-56.80000109.1H1046H1046-S1048 VanDerWaalsContact C-N 3.34Å; H1046-S1048 PolarHBondContact CE1-OG 3.03Å; H1046-S1048 VanDerWaalsContact CE1-OG 3.28Å; H1046-S1048 PolarHBondContact ND1-OG 3.15Å; H1046-S1048 VanDerWaalsContact ND1-OG 3.14Å; H1046-S1048 PolarHBondContact O-N 3.37Å
1049I32.3Very low73.9Confident207 Ų20783.6 Ų83.6100%1.06247%0.472SS*.  trans-94.60169.5-59.4178.8000107.8S1047S1047-I1049 PolarHBondContact O-N 2.87Å; S1047-I1049 VanDerWaalsContact O-N 3.13Å

Retrieved 1,049 of 1,049 residues in 1301.4 ms (Link to these results)

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