A0A3Q0KFT0_SCHMA Loading...

Protein HID1

AlphaFold DB , UniProt , Accession A0A3Q0KFT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 964 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
1M41.2Very low71.5Confident197 Ų19772.9 Ų72.997%0.9742%0.423SS*.  0-63.50-70.9-156.4175.100112D4M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 2.84Å
2G52.8Low73Confident54 Ų5473 Ų7356%0.55742%0.421SS*.Hα-helixtrans-59.8-56.3175.900000113.5D4 N5 S6G2-D4 VanDerWaalsContact C-N 3.26Å; G2-D4 PolarHBondContact O-N 3.3Å; G2-D4 VanDerWaalsContact O-N 3.13Å; G2-N5 PolarHBondContact O-N 3.09Å; G2-S6 PolarHBondContact O-N 3.34Å; G2-S6 VanDerWaalsContact O-N 3.16Å; G2-S6 PolarHBondContact O-OG 3.13Å
3G56.3Low74.4Confident34 Ų3467.4 Ų67.435%0.35139%0.388SS..Hα-helixtrans-59.6-27.1-173.100000116.2S6 K7G3-S6 WeakPolarHBondContact O-CB 3.49Å; G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.37Å
4D62Low75.6Confident109 Ų10963 Ų6358%0.58336%0.363SS*.Hα-helixtrans-73.7-46.5-177.2-46.4-68.1000111M1 G2 S6 K7 L8M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 2.84Å; G2-D4 VanDerWaalsContact C-N 3.26Å; G2-D4 PolarHBondContact O-N 3.3Å; G2-D4 VanDerWaalsContact O-N 3.13Å; D4-S6 VanDerWaalsContact C-N 3.3Å; D4-S6 PolarHBondContact O-N 3.22Å; D4-K7 PolarHBondContact O-N 3.09Å; D4-L8 PolarHBondContact O-N 3.16Å; D4-L8 VanDerWaalsContact O-N 3.09Å
5N68.5Low76.6Confident121 Ų12162.9 Ų62.965%0.64736%0.36SS*.Hα-helixtrans-62.8-38.8172.5-71.1-5.9000111.3G2 L8 G9G2-N5 PolarHBondContact O-N 3.09Å; N5-L8 WeakPolarHBondContact O-CB 3.4Å; N5-L8 PolarHBondContact O-N 3.45Å; N5-G9 PolarHBondContact O-N 3Å
6S74.4Confident77.5Confident45 Ų4563.2 Ų63.232%0.31536%0.357SS..Hα-helixtrans-60.5-49.3176.7-73.90000112.7G2 G3 D4 L8 G9 Y10 Y39G2-S6 PolarHBondContact O-N 3.34Å; G2-S6 VanDerWaalsContact O-N 3.16Å; G2-S6 PolarHBondContact O-OG 3.13Å; G3-S6 WeakPolarHBondContact O-CB 3.49Å; D4-S6 VanDerWaalsContact C-N 3.3Å; D4-S6 PolarHBondContact O-N 3.22Å; S6-L8 VanDerWaalsContact C-N 3.3Å; S6-L8 PolarHBondContact O-N 3.47Å; S6-G9 PolarHBondContact O-N 3.11Å; S6-Y10 PolarHBondContact O-N 3.37Å; S6-Y10 VanDerWaalsContact O-N 3.11Å; S6-Y39 VanDerWaalsContact C-OH 3.26Å; S6-Y39 VanDerWaalsContact CB-CE1 3.45Å; S6-Y39 PolarHBondContact O-OH 3.18Å; S6-Y39 VanDerWaalsContact O-OH 3.05Å
7K82.9Confident78.3Confident67 Ų6759.6 Ų59.629%0.29134%0.337SS..Hα-helixtrans-63.3-35.5175.4-71.9-178.6-177.4-174.90112.2G3 D4 R11 Y39 D45 L49G3-K7 WeakPolarHBondContact O-CG 3.49Å; G3-K7 PolarHBondContact O-N 3.37Å; D4-K7 PolarHBondContact O-N 3.09Å; K7-R11 WeakPolarHBondContact O-CB 3.42Å; K7-R11 PolarHBondContact O-N 3.48Å; K7-Y39 HydrophobicContact CG-CE2 3.89Å; K7-Y39 PolarHBondContact N-OH 3Å; K7-D45 WeakPolarHBondContact CE-OD1 3.33Å; K7-D45 IonicContact NZ-OD1 3.3Å; K7-D45 PolarHBondContact NZ-OD1 3.45Å; K7-D45 IonicContact NZ-OD2 3.59Å; K7-D45 PolarHBondContact NZ-OD2 3.25Å; K7-L49 HydrophobicContact CB-CD1 4.45Å; K7-L49 HydrophobicContact CB-CD2 4.48Å; K7-L49 HydrophobicContact CG-CD1 4.35Å
8L83.8Confident78.7Confident100 Ų10057.8 Ų57.852%0.52433%0.327SS..Hα-helixtrans-65.7-40.6174.7-17268.2000112.1D4 N5 S6 R11 N12D4-L8 PolarHBondContact O-N 3.16Å; D4-L8 VanDerWaalsContact O-N 3.09Å; N5-L8 WeakPolarHBondContact O-CB 3.4Å; N5-L8 PolarHBondContact O-N 3.45Å; S6-L8 VanDerWaalsContact C-N 3.3Å; S6-L8 PolarHBondContact O-N 3.47Å; L8-R11 PolarHBondContact O-N 3.42Å; L8-N12 WeakPolarHBondContact O-CB 3.47Å; L8-N12 PolarHBondContact O-N 3.32Å; L8-N12 PolarHBondContact O-ND2 2.89Å
9G85Confident79.1Confident20 Ų2059.6 Ų59.621%0.20634%0.34CS..Hα-helixtrans-58.8-52.6173.700000112.1N5 S6 R11 N12 A13N5-G9 PolarHBondContact O-N 3Å; S6-G9 PolarHBondContact O-N 3.11Å; G9-R11 VanDerWaalsContact C-N 3.31Å; G9-R11 PolarHBondContact O-N 3.23Å; G9-N12 PolarHBondContact O-N 3.33Å; G9-N12 VanDerWaalsContact O-N 3.09Å; G9-A13 PolarHBondContact O-N 2.91Å
10Y88.9Confident79Confident1 Ų160.4 Ų60.40%0.00434%0.339CS..Hα-helixtrans-53.8-46.9175-169.8-80000111.9S6 N12 A13 V14 Q34 F35 M41 L49 I50S6-Y10 PolarHBondContact O-N 3.37Å; S6-Y10 VanDerWaalsContact O-N 3.11Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 3.01Å; Y10-A13 PolarHBondContact O-N 3.11Å; Y10-V14 HydrophobicContact CD1-CG2 4.05Å; Y10-V14 HydrophobicContact CE1-CG2 3.95Å; Y10-V14 WeakPolarHBondContact O-CG2 3.23Å; Y10-V14 PolarHBondContact O-N 3.09Å; Y10-Q34 WeakPolarHBondContact CD2-O 3.39Å; Y10-F35 HydrophobicContact CD2-CD1 4.44Å; Y10-F35 HydrophobicContact CE2-CB 4.34Å; Y10-F35 AromaticContact CE2-CD1 3.99Å; Y10-F35 HydrophobicContact CE2-CD1 3.99Å; Y10-F35 WeakPolarHBondContact CE2-O 3.38Å; Y10-M41 HydrophobicContact CD2-CE 3.67Å; Y10-M41 HydrophobicContact CD2-SD 3.76Å; Y10-M41 HydrophobicContact CE2-CE 3.62Å; Y10-M41 HydrophobicContact CE2-SD 3.91Å; Y10-M41 HydrophobicContact CG-SD 4.14Å; Y10-L49 HydrophobicContact CD1-CB 4Å; Y10-L49 HydrophobicContact CD1-CD1 3.9Å; Y10-L49 HydrophobicContact CD1-CG 4.5Å; Y10-L49 HydrophobicContact CE1-CB 4.12Å; Y10-L49 HydrophobicContact CE1-CD1 4.39Å; Y10-L49 HydrophobicContact CG-CD1 4.41Å; Y10-I50 HydrophobicContact CE1-CD1 4.01Å; Y10-I50 HydrophobicContact CE1-CG1 4.02Å
11R90.5Very high78.7Confident54 Ų5464.5 Ų64.520%0.20437%0.366CS..Hα-helixtrans-60.1-42177.2-172.566.6-167.4123.512.4112.5K7 L8 G9 A13 V14 I15 L49 E54K7-R11 WeakPolarHBondContact O-CB 3.42Å; K7-R11 PolarHBondContact O-N 3.48Å; L8-R11 PolarHBondContact O-N 3.42Å; G9-R11 VanDerWaalsContact C-N 3.31Å; G9-R11 PolarHBondContact O-N 3.23Å; R11-A13 VanDerWaalsContact C-N 3.35Å; R11-V14 PolarHBondContact O-N 2.94Å; R11-I15 HydrophobicContact CG-CD1 4.17Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.09Å; R11-I15 VanDerWaalsContact O-N 3.1Å; R11-L49 HydrophobicContact CB-CD2 4.07Å; R11-L49 WeakPolarHBondContact CD-O 3.36Å; R11-L49 PolarHBondContact NH1-O 3.46Å; R11-E54 IonicContact CZ-OE1 2.67Å; R11-E54 IonicContact CZ-OE2 3.19Å; R11-E54 VanDerWaalsContact CZ-OE2 3.31Å; R11-E54 IonicContact NH1-OE1 3.71Å; R11-E54 IonicContact NH1-OE2 2.63Å; R11-E54 PolarHBondContact NH1-OE2 3.41Å; R11-E54 VanDerWaalsContact NH2-CD 3.26Å; R11-E54 IonicContact NH2-OE1 2.73Å; R11-E54 PolarHBondContact NH2-OE1 3.03Å; R11-E54 IonicContact NH2-OE2 3.62Å; R11-E54 PolarHBondContact NH2-OE2 2.95Å
12N89.9Confident80.6Confident74 Ų7462.4 Ų62.440%0.39635%0.354SS..Hα-helixtrans-67.9-34.1177.9-69-24.3000112.2L8 G9 Y10 Q16L8-N12 WeakPolarHBondContact O-CB 3.47Å; L8-N12 PolarHBondContact O-N 3.32Å; L8-N12 PolarHBondContact O-ND2 2.89Å; G9-N12 PolarHBondContact O-N 3.33Å; G9-N12 VanDerWaalsContact O-N 3.09Å; Y10-N12 VanDerWaalsContact C-N 3.34Å; Y10-N12 PolarHBondContact O-N 3.01Å; N12-Q16 WeakPolarHBondContact O-CG 3.47Å; N12-Q16 PolarHBondContact O-N 2.7Å
13A90.6Very high82Confident0 Ų063.5 Ų63.50%035%0.351CS..Hα-helixtrans-66.4-44174.300000111.6G9 Y10 R11 I15 Q16 L17 F31 Q34 F35G9-A13 PolarHBondContact O-N 2.91Å; Y10-A13 PolarHBondContact O-N 3.11Å; R11-A13 VanDerWaalsContact C-N 3.35Å; A13-I15 PolarHBondContact O-N 3.39Å; A13-Q16 PolarHBondContact O-N 2.99Å; A13-L17 PolarHBondContact O-N 3.17Å; A13-L17 VanDerWaalsContact O-N 3.12Å; A13-F31 HydrophobicContact CB-CE2 4.22Å; A13-F31 HydrophobicContact CB-CZ 4.31Å; A13-Q34 HydrophobicContact CB-CB 4.22Å; A13-F35 HydrophobicContact CB-CD2 4.5Å; A13-F35 HydrophobicContact CB-CE1 4.19Å; A13-F35 HydrophobicContact CB-CE2 3.71Å; A13-F35 HydrophobicContact CB-CZ 3.52Å
14V90.8Very high83.6Confident6 Ų662.4 Ų62.44%0.03634%0.337CS..Hα-helixtrans-56.1-48.6173175.20000111.1Y10 R11 Q16 L17 F35 I50Y10-V14 HydrophobicContact CD1-CG2 4.05Å; Y10-V14 HydrophobicContact CE1-CG2 3.95Å; Y10-V14 WeakPolarHBondContact O-CG2 3.23Å; Y10-V14 PolarHBondContact O-N 3.09Å; R11-V14 PolarHBondContact O-N 2.94Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 2.63Å; V14-L17 PolarHBondContact O-N 3.41Å; V14-F35 HydrophobicContact CG2-CE1 3.83Å; V14-I50 HydrophobicContact CG1-CG2 4.45Å; V14-I50 HydrophobicContact CG2-CD1 4.35Å; V14-I50 HydrophobicContact CG2-CG1 3.97Å
15I90.7Very high84.8Confident62 Ų6261.6 Ų61.632%0.31833%0.333SS..Hα-helixtrans-63-37178.9-66.7164.9000111.5R11 A13 T18 T19R11-I15 HydrophobicContact CG-CD1 4.17Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.09Å; R11-I15 VanDerWaalsContact O-N 3.1Å; A13-I15 PolarHBondContact O-N 3.39Å; I15-T18 PolarHBondContact O-N 2.76Å; I15-T18 PolarHBondContact O-OG1 2.67Å; I15-T19 HydrophobicContact CG2-CG2 4.02Å; I15-T19 WeakPolarHBondContact O-CB 3.46Å; I15-T19 WeakPolarHBondContact O-CG2 3.47Å; I15-T19 PolarHBondContact O-N 3.19Å; I15-T19 PolarHBondContact O-OG1 2.66Å
16Q91.4Very high85.7Confident67 Ų6758.4 Ų58.431%0.31332%0.32SS..Hα-helixtrans-65.9-33.5176.3-81.5-177.563.900113.6N12 A13 V14 T18 T19 K20 F31N12-Q16 WeakPolarHBondContact O-CG 3.47Å; N12-Q16 PolarHBondContact O-N 2.7Å; A13-Q16 PolarHBondContact O-N 2.99Å; V14-Q16 VanDerWaalsContact C-N 3.31Å; V14-Q16 PolarHBondContact O-N 2.63Å; Q16-T18 VanDerWaalsContact C-N 3.28Å; Q16-T18 PolarHBondContact O-N 3.33Å; Q16-T19 PolarHBondContact O-N 3.05Å; Q16-K20 HydrophobicContact CB-CD 4.42Å; Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 WeakPolarHBondContact O-CG 3.43Å; Q16-K20 PolarHBondContact O-N 3.24Å; Q16-K20 VanDerWaalsContact O-N 3.15Å; Q16-F31 HydrophobicContact CB-CE2 3.82Å; Q16-F31 HydrophobicContact CB-CZ 4.22Å
17L91.4Very high86.4Confident2 Ų262 Ų621%0.0134%0.336CS..Hα-helixtrans-63-35175.9-68.8174.1000112.5A13 V14 V24 F31 W32 F35 L58 A62 N65 L69A13-L17 PolarHBondContact O-N 3.17Å; A13-L17 VanDerWaalsContact O-N 3.12Å; V14-L17 PolarHBondContact O-N 3.41Å; L17-V24 HydrophobicContact CD2-CG2 4.34Å; L17-F31 HydrophobicContact CD2-CE1 3.75Å; L17-F31 HydrophobicContact CD2-CZ 3.88Å; L17-F31 HydrophobicContact CG-CE1 4.35Å; L17-F31 HydrophobicContact CG-CZ 4.07Å; L17-W32 HydrophobicContact CD2-CH2 3.75Å; L17-W32 HydrophobicContact CD2-CZ3 3.85Å; L17-F35 HydrophobicContact CD1-CE1 4.09Å; L17-F35 HydrophobicContact CD1-CE2 4.25Å; L17-F35 HydrophobicContact CD1-CZ 3.49Å; L17-F35 VanDerWaalsContact CD1-CZ 3.49Å; L17-F35 HydrophobicContact CG-CZ 4.08Å; L17-L58 HydrophobicContact CB-CD1 3.86Å; L17-L58 HydrophobicContact CB-CD2 4.24Å; L17-L58 HydrophobicContact CD1-CD2 4.19Å; L17-A62 WeakPolarHBondContact O-CB 3.46Å; L17-N65 HydrophobicContact CB-CB 4.4Å; L17-N65 HydrophobicContact CD2-CB 3.96Å; L17-N65 PolarHBondContact O-ND2 3.31Å; L17-L69 HydrophobicContact CD1-CD1 4.38Å; L17-L69 HydrophobicContact CD1-CD2 3.79Å; L17-L69 HydrophobicContact CD1-CG 4.44Å
18T85.9Confident86.8Confident27 Ų2761.6 Ų61.617%0.16634%0.337CS..Hα-helixtrans-85.3-30.5176.743.10000114I15 Q16 A57 L58I15-T18 PolarHBondContact O-N 2.76Å; I15-T18 PolarHBondContact O-OG1 2.67Å; Q16-T18 VanDerWaalsContact C-N 3.28Å; Q16-T18 PolarHBondContact O-N 3.33Å; T18-A57 HydrophobicContact CG2-CB 4.48Å; T18-L58 HydrophobicContact CG2-CB 3.72Å; T18-L58 HydrophobicContact CG2-CD1 4.37Å
19T85.6Confident86.9Confident92 Ų9260.2 Ų60.256%0.56433%0.33SS*.Hα-helixtrans-98-15.1-170.1540000115.1I15 Q16I15-T19 HydrophobicContact CG2-CG2 4.02Å; I15-T19 WeakPolarHBondContact O-CB 3.46Å; I15-T19 WeakPolarHBondContact O-CG2 3.47Å; I15-T19 PolarHBondContact O-N 3.19Å; I15-T19 PolarHBondContact O-OG1 2.66Å; Q16-T19 PolarHBondContact O-N 3.05Å
20K77.4Confident87Confident75 Ų7566 Ų6633%0.32636%0.357SS..  trans-77125.2174.9-75.5175177.2170.90110.6Q16 Q22 V24Q16-K20 HydrophobicContact CB-CD 4.42Å; Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 WeakPolarHBondContact O-CG 3.43Å; Q16-K20 PolarHBondContact O-N 3.24Å; Q16-K20 VanDerWaalsContact O-N 3.15Å; K20-Q22 WeakPolarHBondContact CB-O 3.21Å; K20-Q22 PolarHBondContact O-N 3.37Å; K20-V24 HydrophobicContact CD-CG2 3.69Å
21T72.3Confident87.1Confident148 Ų14866.3 Ų66.391%0.90836%0.358SS*.SBendtrans-75.4-7.7177.751.20000114.3
22Q80.7Confident87.1Confident153 Ų15363.8 Ų63.872%0.71535%0.348SS*.SBendtrans-119.2149.4168.2-69.1-171.4-11.700109.3K20K20-Q22 WeakPolarHBondContact CB-O 3.21Å; K20-Q22 PolarHBondContact O-N 3.37Å
23P83.8Confident87Confident76 Ų7663.6 Ų63.649%0.49435%0.347SS..PPolyproline II helixtrans-55.4146.9172.4-23.634.2000111.7N64 N65P23-N64 HydrophobicContact CB-CB 4.37Å; P23-N64 HydrophobicContact CG-CB 4.14Å; P23-N65 VanDerWaalsContact CA-OD1 3.22Å; P23-N65 WeakPolarHBondContact CA-OD1 3.39Å
24V88.5Confident86.9Confident11 Ų1166.7 Ų66.77%0.06736%0.362CS..PPolyproline II helixtrans-73.9136.7170-173.80000108.7L17 K20 S26 F31 W32 N65L17-V24 HydrophobicContact CD2-CG2 4.34Å; K20-V24 HydrophobicContact CD-CG2 3.69Å; V24-S26 PolarHBondContact O-N 3.06Å; V24-F31 HydrophobicContact CB-CD1 4.44Å; V24-F31 HydrophobicContact CB-CE1 4.31Å; V24-F31 HydrophobicContact CG1-CB 4.42Å; V24-F31 HydrophobicContact CG1-CD1 3.59Å; V24-F31 HydrophobicContact CG1-CE1 3.93Å; V24-F31 HydrophobicContact CG1-CG 3.93Å; V24-F31 HydrophobicContact CG2-CE1 4.08Å; V24-F31 HydrophobicContact CG2-CZ 4.14Å; V24-W32 HydrophobicContact CB-CH2 4.38Å; V24-W32 HydrophobicContact CB-CZ2 3.87Å; V24-W32 HydrophobicContact CG1-CZ2 4.02Å; V24-N65 PolarHBondContact N-OD1 3.1Å
25D88.2Confident86.8Confident93 Ų9366.5 Ų66.550%0.49736%0.36SS..PPolyproline II helixtrans-58.1128.2177.3-168-26.7000110.2N27 D28 W32D25-N27 PolarHBondContact O-N 2.82Å; D25-N27 VanDerWaalsContact O-N 3.1Å; D25-N27 WeakPolarHBondContact OD1-CB 3.37Å; D25-N27 PolarHBondContact OD1-N 3.39Å; D25-N27 PolarHBondContact OD1-ND2 2.83Å; D25-D28 HydrophobicContact CB-CB 4.38Å; D25-D28 PolarHBondContact O-N 2.99Å; D25-D28 VanDerWaalsContact O-N 3.13Å; D25-W32 PolarHBondContact O-NE1 3.42Å
26S87Confident86.6Confident53 Ų5364 Ų6437%0.37135%0.347SS..THydrogen-bonded Turntrans-62.3-14176.749.80000113.7V24 K72V24-S26 PolarHBondContact O-N 3.06Å; S26-K72 WeakPolarHBondContact O-CE 3.38Å; S26-K72 PolarHBondContact O-NZ 3.33Å
27N89.3Confident85.5Confident121 Ų12162 Ų6265%0.64734%0.343SS*.THydrogen-bonded Turntrans-100.90.5179.6-49-77.7000113.3D25 D29D25-N27 PolarHBondContact O-N 2.82Å; D25-N27 VanDerWaalsContact O-N 3.1Å; D25-N27 WeakPolarHBondContact OD1-CB 3.37Å; D25-N27 PolarHBondContact OD1-N 3.39Å; D25-N27 PolarHBondContact OD1-ND2 2.83Å; N27-D29 PolarHBondContact O-N 2.99Å
28D90.5Very high84.3Confident59 Ų5968.5 Ų68.532%0.31637%0.373SS..  trans-79.469.1173.8-171.9-0.5000110.8D25 N30 F31 W32D25-D28 HydrophobicContact CB-CB 4.38Å; D25-D28 PolarHBondContact O-N 2.99Å; D25-D28 VanDerWaalsContact O-N 3.13Å; D28-N30 PolarHBondContact O-N 3.41Å; D28-N30 VanDerWaalsContact O-N 3.15Å; D28-F31 HydrophobicContact CB-CB 4.09Å; D28-F31 VanDerWaalsContact CG-CB 3.45Å; D28-F31 WeakPolarHBondContact O-CA 3.43Å; D28-F31 WeakPolarHBondContact O-CB 3.28Å; D28-F31 PolarHBondContact O-N 2.84Å; D28-F31 PolarHBondContact OD1-N 2.68Å; D28-F31 WeakPolarHBondContact OD2-CB 3.44Å; D28-W32 PolarHBondContact O-N 3.1Å
29D86.4Confident83.7Confident71 Ų7168.5 Ų68.538%0.3837%0.37SS..Hα-helixtrans-57.4-29.4-178.1-71-37.3000112.3N27 F31 W32 D33 K72N27-D29 PolarHBondContact O-N 2.99Å; D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 PolarHBondContact O-N 3.15Å; D29-W32 PolarHBondContact O-N 3.29Å; D29-D33 VanDerWaalsContact O-CB 3.28Å; D29-D33 WeakPolarHBondContact O-CB 3.35Å; D29-D33 PolarHBondContact O-N 3.06Å; D29-K72 IonicContact OD1-NZ 3.78Å
30N87.4Confident83Confident142 Ų14268.9 Ų68.976%0.75937%0.374SS*.Hα-helixtrans-66-30.5174.5-66-74.8000112.9D28 Q34D28-N30 PolarHBondContact O-N 3.41Å; D28-N30 VanDerWaalsContact O-N 3.15Å; N30-Q34 PolarHBondContact O-NE2 2.97Å
31F90.6Very high83.2Confident6 Ų665.4 Ų65.43%0.02636%0.359CS..Hα-helixtrans-74.7-50169.5177.1-91.6000111.1A13 Q16 L17 V24 D28 D29 Q34 F35A13-F31 HydrophobicContact CB-CE2 4.22Å; A13-F31 HydrophobicContact CB-CZ 4.31Å; Q16-F31 HydrophobicContact CB-CE2 3.82Å; Q16-F31 HydrophobicContact CB-CZ 4.22Å; L17-F31 HydrophobicContact CD2-CE1 3.75Å; L17-F31 HydrophobicContact CD2-CZ 3.88Å; L17-F31 HydrophobicContact CG-CE1 4.35Å; L17-F31 HydrophobicContact CG-CZ 4.07Å; V24-F31 HydrophobicContact CB-CD1 4.44Å; V24-F31 HydrophobicContact CB-CE1 4.31Å; V24-F31 HydrophobicContact CG1-CB 4.42Å; V24-F31 HydrophobicContact CG1-CD1 3.59Å; V24-F31 HydrophobicContact CG1-CE1 3.93Å; V24-F31 HydrophobicContact CG1-CG 3.93Å; V24-F31 HydrophobicContact CG2-CE1 4.08Å; V24-F31 HydrophobicContact CG2-CZ 4.14Å; D28-F31 HydrophobicContact CB-CB 4.09Å; D28-F31 VanDerWaalsContact CG-CB 3.45Å; D28-F31 WeakPolarHBondContact O-CA 3.43Å; D28-F31 WeakPolarHBondContact O-CB 3.28Å; D28-F31 PolarHBondContact O-N 2.84Å; D28-F31 PolarHBondContact OD1-N 2.68Å; D28-F31 WeakPolarHBondContact OD2-CB 3.44Å; D29-F31 VanDerWaalsContact C-N 3.3Å; D29-F31 PolarHBondContact O-N 3.15Å; F31-Q34 WeakPolarHBondContact O-CB 3.35Å; F31-Q34 PolarHBondContact O-N 2.92Å; F31-F35 HydrophobicContact CD1-CE2 4.44Å; F31-F35 AromaticContact CE1-CE2 3.78Å; F31-F35 HydrophobicContact CE1-CE2 3.78Å; F31-F35 HydrophobicContact CZ-CE2 4.09Å; F31-F35 HydrophobicContact CZ-CZ 4.47Å
32W90.6Very high84Confident1 Ų160.3 Ų60.30%0.00433%0.33CS..Hα-helixtrans-68.2-36.8-173-65.4114.3000113.6L17 V24 D25 D28 D29 Q34 F35 W36 T68 L69 K72L17-W32 HydrophobicContact CD2-CH2 3.75Å; L17-W32 HydrophobicContact CD2-CZ3 3.85Å; V24-W32 HydrophobicContact CB-CH2 4.38Å; V24-W32 HydrophobicContact CB-CZ2 3.87Å; V24-W32 HydrophobicContact CG1-CZ2 4.02Å; D25-W32 PolarHBondContact O-NE1 3.42Å; D28-W32 PolarHBondContact O-N 3.1Å; D29-W32 PolarHBondContact O-N 3.29Å; W32-Q34 PolarHBondContact O-N 2.7Å; W32-F35 HydrophobicContact CE3-CD2 4.25Å; W32-F35 HydrophobicContact CE3-CE2 4.23Å; W32-F35 HydrophobicContact CZ3-CE2 4.45Å; W32-F35 WeakPolarHBondContact O-CB 3.47Å; W32-F35 WeakPolarHBondContact O-CD2 3.4Å; W32-F35 PolarHBondContact O-N 3.04Å; W32-W36 HydrophobicContact CB-CZ2 3.94Å; W32-W36 VanDerWaalsContact O-CE2 3.24Å; W32-W36 WeakPolarHBondContact O-CZ2 3.42Å; W32-W36 PolarHBondContact O-NE1 3.21Å; W32-T68 HydrophobicContact CH2-CG2 3.75Å; W32-T68 HydrophobicContact CZ2-CG2 3.42Å; W32-T68 VanDerWaalsContact CZ2-CG2 3.42Å; W32-L69 HydrophobicContact CE3-CD1 4.22Å; W32-L69 HydrophobicContact CZ3-CB 4Å; W32-L69 HydrophobicContact CZ3-CD1 3.94Å; W32-K72 HydrophobicContact CD2-CG 4.27Å; W32-K72 HydrophobicContact CG-CG 4.36Å
33D88.6Confident84.5Confident71 Ų7153.9 Ų53.938%0.3830%0.3SS..THydrogen-bonded Turntrans-66.5-11.1-179.3-76.5-7.9000114.2D29 F35 W36 A37 R76D29-D33 VanDerWaalsContact O-CB 3.28Å; D29-D33 WeakPolarHBondContact O-CB 3.35Å; D29-D33 PolarHBondContact O-N 3.06Å; D33-F35 PolarHBondContact O-N 3.21Å; D33-W36 PolarHBondContact O-N 3.04Å; D33-W36 PolarHBondContact OD1-NE1 3.19Å; D33-A37 PolarHBondContact O-N 3.12Å; D33-A37 VanDerWaalsContact O-N 3.17Å; D33-R76 IonicContact OD1-CZ 3.31Å; D33-R76 IonicContact OD1-NE 3.7Å; D33-R76 IonicContact OD1-NH2 2.68Å; D33-R76 PolarHBondContact OD1-NH2 3.17Å; D33-R76 IonicContact OD2-NH2 2.67Å
34Q88.5Confident84.9Confident65 Ų6555.3 Ų55.330%0.30430%0.3SS..THydrogen-bonded Turntrans-64.3-22.9169-67171.161.400112.8Y10 A13 N30 F31 W32Y10-Q34 WeakPolarHBondContact CD2-O 3.39Å; A13-Q34 HydrophobicContact CB-CB 4.22Å; N30-Q34 PolarHBondContact O-NE2 2.97Å; F31-Q34 WeakPolarHBondContact O-CB 3.35Å; F31-Q34 PolarHBondContact O-N 2.92Å; W32-Q34 PolarHBondContact O-N 2.7Å
35F88.7Confident84.9Confident1 Ų156.7 Ų56.70%0.00431%0.307CS..THydrogen-bonded Turntrans-84.6-22.9179.5-68.1-81.6000114.1Y10 A13 V14 L17 F31 W32 D33 L69Y10-F35 HydrophobicContact CD2-CD1 4.44Å; Y10-F35 HydrophobicContact CE2-CB 4.34Å; Y10-F35 AromaticContact CE2-CD1 3.99Å; Y10-F35 HydrophobicContact CE2-CD1 3.99Å; Y10-F35 WeakPolarHBondContact CE2-O 3.38Å; A13-F35 HydrophobicContact CB-CD2 4.5Å; A13-F35 HydrophobicContact CB-CE1 4.19Å; A13-F35 HydrophobicContact CB-CE2 3.71Å; A13-F35 HydrophobicContact CB-CZ 3.52Å; V14-F35 HydrophobicContact CG2-CE1 3.83Å; L17-F35 HydrophobicContact CD1-CE1 4.09Å; L17-F35 HydrophobicContact CD1-CE2 4.25Å; L17-F35 HydrophobicContact CD1-CZ 3.49Å; L17-F35 VanDerWaalsContact CD1-CZ 3.49Å; L17-F35 HydrophobicContact CG-CZ 4.08Å; F31-F35 HydrophobicContact CD1-CE2 4.44Å; F31-F35 AromaticContact CE1-CE2 3.78Å; F31-F35 HydrophobicContact CE1-CE2 3.78Å; F31-F35 HydrophobicContact CZ-CE2 4.09Å; F31-F35 HydrophobicContact CZ-CZ 4.47Å; W32-F35 HydrophobicContact CE3-CD2 4.25Å; W32-F35 HydrophobicContact CE3-CE2 4.23Å; W32-F35 HydrophobicContact CZ3-CE2 4.45Å; W32-F35 WeakPolarHBondContact O-CB 3.47Å; W32-F35 WeakPolarHBondContact O-CD2 3.4Å; W32-F35 PolarHBondContact O-N 3.04Å; D33-F35 PolarHBondContact O-N 3.21Å; F35-L69 HydrophobicContact CD1-CD1 3.99Å; F35-L69 HydrophobicContact CD2-CD1 3.98Å; F35-L69 HydrophobicContact CE1-CD1 4.15Å; F35-L69 HydrophobicContact CE2-CD1 4.14Å; F35-L69 HydrophobicContact CG-CD1 3.91Å; F35-L69 HydrophobicContact CZ-CD1 4.23Å
36W85.4Confident85.1Confident9 Ų952.2 Ų52.23%0.03428%0.283CS..THydrogen-bonded Turntrans-108.5-2.5-179.4-2.3112.3000113.9W32 D33 L69 K72 A73 R76 T93 L100W32-W36 HydrophobicContact CB-CZ2 3.94Å; W32-W36 VanDerWaalsContact O-CE2 3.24Å; W32-W36 WeakPolarHBondContact O-CZ2 3.42Å; W32-W36 PolarHBondContact O-NE1 3.21Å; D33-W36 PolarHBondContact O-N 3.04Å; D33-W36 PolarHBondContact OD1-NE1 3.19Å; W36-L69 HydrophobicContact CH2-CD1 4.19Å; W36-L69 HydrophobicContact CZ3-CD1 4.39Å; W36-K72 HydrophobicContact CH2-CB 3.68Å; W36-K72 HydrophobicContact CZ2-CB 3.71Å; W36-A73 HydrophobicContact CH2-CB 4.44Å; W36-A73 HydrophobicContact CZ3-CB 3.99Å; W36-R76 HydrophobicContact CD2-CG 4.24Å; W36-R76 HydrophobicContact CG-CG 4.36Å; W36-T93 HydrophobicContact CB-CG2 3.79Å; W36-T93 HydrophobicContact CG-CG2 4.46Å; W36-L100 HydrophobicContact CZ3-CD2 4.05Å
37A68.1Low85.4Confident27 Ų2750.7 Ų50.722%0.22327%0.27CS..  trans-39.7152.6-168.800000117.5D33 Y39 N96D33-A37 PolarHBondContact O-N 3.12Å; D33-A37 VanDerWaalsContact O-N 3.17Å; A37-Y39 HydrophobicContact CB-CD1 3.86Å; A37-Y39 HydrophobicContact CB-CE1 3.64Å; A37-Y39 PolarHBondContact O-N 3.15Å; A37-N96 PolarHBondContact O-ND2 3.46Å
38E66.5Low85.5Confident137 Ų13748.5 Ų48.564%0.6427%0.269SS*.SBendtrans-66.824.6-163.7-51.5-177.5152.900117K89 L92E38-K89 HydrophobicContact CG-CD 4.3Å; E38-K89 WeakPolarHBondContact OE1-CD 3.37Å; E38-K89 VanDerWaalsContact OE1-CE 3.23Å; E38-K89 WeakPolarHBondContact OE1-CE 3.4Å; E38-K89 IonicContact OE1-NZ 2.68Å; E38-K89 PolarHBondContact OE1-NZ 3.42Å; E38-L92 VanDerWaalsContact C-CD2 3.5Å
39Y73.2Confident85.5Confident27 Ų2746.8 Ų46.811%0.10626%0.259CS..SBendtrans-126.6143.218069.8-76.4000111.9S6 K7 A37 M41 N96S6-Y39 VanDerWaalsContact C-OH 3.26Å; S6-Y39 VanDerWaalsContact CB-CE1 3.45Å; S6-Y39 PolarHBondContact O-OH 3.18Å; S6-Y39 VanDerWaalsContact O-OH 3.05Å; K7-Y39 HydrophobicContact CG-CE2 3.89Å; K7-Y39 PolarHBondContact N-OH 3Å; A37-Y39 HydrophobicContact CB-CD1 3.86Å; A37-Y39 HydrophobicContact CB-CE1 3.64Å; A37-Y39 PolarHBondContact O-N 3.15Å; Y39-M41 HydrophobicContact CD2-CG 3.96Å; Y39-M41 HydrophobicContact CE1-CE 4.35Å; Y39-M41 HydrophobicContact CE2-CE 4.4Å; Y39-M41 HydrophobicContact CE2-CG 3.3Å; Y39-M41 HydrophobicContact CE2-SD 3.9Å; Y39-M41 PolarHBondContact O-N 2.68Å; Y39-M41 VanDerWaalsContact O-N 3.09Å; Y39-M41 PolarHBondContact OH-SD 2.98Å; Y39-M41 VanDerWaalsContact OH-SD 3.33Å; Y39-N96 PolarHBondContact O-ND2 3.38Å
40P70.3Confident85.8Confident101 Ų10143.8 Ų43.866%0.65624%0.243SC*.  trans-69.9106.3177.327.5-33.4000111.6L92P40-L92 HydrophobicContact CB-CD1 4.17Å
41M83.3Confident86.1Confident1 Ų139.1 Ų39.11%0.00522%0.22CC..  trans-88130.5160-71.9179.1-79.200109.4Y10 Y39 D45 I46 L49 N96 R99Y10-M41 HydrophobicContact CD2-CE 3.67Å; Y10-M41 HydrophobicContact CD2-SD 3.76Å; Y10-M41 HydrophobicContact CE2-CE 3.62Å; Y10-M41 HydrophobicContact CE2-SD 3.91Å; Y10-M41 HydrophobicContact CG-SD 4.14Å; Y39-M41 HydrophobicContact CD2-CG 3.96Å; Y39-M41 HydrophobicContact CE1-CE 4.35Å; Y39-M41 HydrophobicContact CE2-CE 4.4Å; Y39-M41 HydrophobicContact CE2-CG 3.3Å; Y39-M41 HydrophobicContact CE2-SD 3.9Å; Y39-M41 PolarHBondContact O-N 2.68Å; Y39-M41 VanDerWaalsContact O-N 3.09Å; Y39-M41 PolarHBondContact OH-SD 2.98Å; Y39-M41 VanDerWaalsContact OH-SD 3.33Å; M41-D45 HydrophobicContact CB-CB 4.26Å; M41-I46 HydrophobicContact CB-CD1 4.05Å; M41-I46 HydrophobicContact CB-CG1 4.05Å; M41-I46 HydrophobicContact CE-CD1 4.25Å; M41-I46 HydrophobicContact CE-CG1 4.48Å; M41-I46 HydrophobicContact SD-CD1 4.29Å; M41-I46 HydrophobicContact SD-CG1 3.91Å; M41-L49 HydrophobicContact SD-CD1 4.18Å; M41-N96 HydrophobicContact CE-CB 4.42Å; M41-R99 PolarHBondContact O-NH1 3.04Å
42S88.5Confident86.2Confident42 Ų4239.3 Ų39.329%0.29422%0.224SC..  trans-68.5158.8166.965.90000110.4Q44 D45 I46S42-Q44 PolarHBondContact O-N 3.45Å; S42-D45 WeakPolarHBondContact CB-OD2 3.32Å; S42-D45 PolarHBondContact N-OD2 3.45Å; S42-D45 WeakPolarHBondContact O-CB 3.22Å; S42-D45 PolarHBondContact O-N 3.36Å; S42-D45 PolarHBondContact OG-N 3.43Å; S42-D45 PolarHBondContact OG-OD2 2.87Å; S42-I46 PolarHBondContact O-N 3.37Å
43I90.9Very high86.4Confident18 Ų1842.7 Ų42.79%0.09225%0.251CS..Hα-helixtrans-62.4-29.1173.2-163161.2000111.4F47 R99 T102 P948I43-F47 HydrophobicContact CD1-CE2 4.3Å; I43-F47 HydrophobicContact CG1-CD2 3.95Å; I43-F47 HydrophobicContact CG1-CE2 3.83Å; I43-F47 WeakPolarHBondContact O-CB 3.46Å; I43-F47 WeakPolarHBondContact O-CD2 3.26Å; I43-F47 PolarHBondContact O-N 2.91Å; I43-R99 HydrophobicContact CB-CG 3.94Å; I43-R99 HydrophobicContact CD1-CB 4.44Å; I43-R99 HydrophobicContact CD1-CG 4.06Å; I43-R99 HydrophobicContact CG1-CB 4.14Å; I43-R99 HydrophobicContact CG1-CG 3.92Å; I43-T102 HydrophobicContact CD1-CG2 4.26Å; I43-P948 HydrophobicContact CD1-CG 3.78Å; I43-P948 HydrophobicContact CG1-CB 4.47Å; I43-P948 HydrophobicContact CG1-CG 3.93Å; I43-P948 HydrophobicContact CG2-CB 4.27Å; I43-P948 HydrophobicContact CG2-CG 3.93Å
44Q91.5Very high86.6Confident105 Ų10541.6 Ų41.649%0.49124%0.244SC..Hα-helixtrans-64-39.3171-64.583.5-10.200112.4S42 F47 A48S42-Q44 PolarHBondContact O-N 3.45Å; Q44-F47 PolarHBondContact O-N 3.04Å; Q44-A48 WeakPolarHBondContact O-CB 3.47Å; Q44-A48 PolarHBondContact O-N 2.68Å
45D90.5Very high86.9Confident40 Ų4038.6 Ų38.621%0.21423%0.23CC..Hα-helixtrans-62.1-48.7176.2-71.1-59.7000111.2K7 M41 S42 F47 A48 L49K7-D45 WeakPolarHBondContact CE-OD1 3.33Å; K7-D45 IonicContact NZ-OD1 3.3Å; K7-D45 PolarHBondContact NZ-OD1 3.45Å; K7-D45 IonicContact NZ-OD2 3.59Å; K7-D45 PolarHBondContact NZ-OD2 3.25Å; M41-D45 HydrophobicContact CB-CB 4.26Å; S42-D45 WeakPolarHBondContact CB-OD2 3.32Å; S42-D45 PolarHBondContact N-OD2 3.45Å; S42-D45 WeakPolarHBondContact O-CB 3.22Å; S42-D45 PolarHBondContact O-N 3.36Å; S42-D45 PolarHBondContact OG-N 3.43Å; S42-D45 PolarHBondContact OG-OD2 2.87Å; D45-F47 VanDerWaalsContact C-N 3.33Å; D45-F47 PolarHBondContact O-N 2.6Å; D45-A48 PolarHBondContact O-N 3.24Å; D45-A48 VanDerWaalsContact O-N 3.13Å; D45-L49 HydrophobicContact CB-CD1 4.47Å; D45-L49 WeakPolarHBondContact O-CB 3.46Å; D45-L49 WeakPolarHBondContact O-CG 3.39Å; D45-L49 PolarHBondContact O-N 3.26Å
46I91.7Very high87.2Confident0 Ų041.4 Ų41.40%024%0.241CC..Hα-helixtrans-64.7-38.8-179.8-72168.8000111.1M41 S42 A48 L49 I50 R99 R103M41-I46 HydrophobicContact CB-CD1 4.05Å; M41-I46 HydrophobicContact CB-CG1 4.05Å; M41-I46 HydrophobicContact CE-CD1 4.25Å; M41-I46 HydrophobicContact CE-CG1 4.48Å; M41-I46 HydrophobicContact SD-CD1 4.29Å; M41-I46 HydrophobicContact SD-CG1 3.91Å; S42-I46 PolarHBondContact O-N 3.37Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 3.48Å; I46-L49 PolarHBondContact O-N 3.03Å; I46-I50 HydrophobicContact CG2-CD1 4.11Å; I46-I50 PolarHBondContact O-N 3.38Å; I46-R99 HydrophobicContact CD1-CB 3.52Å; I46-R99 HydrophobicContact CD1-CG 4.43Å; I46-R103 HydrophobicContact CG2-CB 4.34Å
47F92.8Very high87.7Confident20 Ų2042 Ų429%0.08825%0.248CC..Hα-helixtrans-64.6-30.4174.3-87.5-119.7000113.1I43 Q44 D45 T102 R103 P948 P949 I950I43-F47 HydrophobicContact CD1-CE2 4.3Å; I43-F47 HydrophobicContact CG1-CD2 3.95Å; I43-F47 HydrophobicContact CG1-CE2 3.83Å; I43-F47 WeakPolarHBondContact O-CB 3.46Å; I43-F47 WeakPolarHBondContact O-CD2 3.26Å; I43-F47 PolarHBondContact O-N 2.91Å; Q44-F47 PolarHBondContact O-N 3.04Å; D45-F47 VanDerWaalsContact C-N 3.33Å; D45-F47 PolarHBondContact O-N 2.6Å; F47-T102 HydrophobicContact CZ-CG2 4.48Å; F47-R103 HydrophobicContact CD2-CB 4.03Å; F47-R103 HydrophobicContact CD2-CG 4.17Å; F47-R103 HydrophobicContact CE2-CB 3.69Å; F47-R103 HydrophobicContact CE2-CG 4.23Å; F47-R103 HydrophobicContact CZ-CB 4.19Å; F47-P948 HydrophobicContact CD1-CB 4.05Å; F47-P948 HydrophobicContact CD2-CB 4.34Å; F47-P948 HydrophobicContact CE1-CB 4Å; F47-P948 HydrophobicContact CE2-CB 4.29Å; F47-P948 HydrophobicContact CE2-CG 4.34Å; F47-P948 HydrophobicContact CG-CB 4.23Å; F47-P948 HydrophobicContact CZ-CB 4.13Å; F47-P948 HydrophobicContact CZ-CG 4.21Å; F47-P949 HydrophobicContact CD1-CG 4.45Å; F47-I950 HydrophobicContact CZ-CG1 4.4Å
48A90.9Very high88.9Confident76 Ų7641.1 Ų41.163%0.62824%0.239SC*.Hα-helixtrans-82.1-34.3175.100000113.4Q44 D45 I46 I50Q44-A48 WeakPolarHBondContact O-CB 3.47Å; Q44-A48 PolarHBondContact O-N 2.68Å; D45-A48 PolarHBondContact O-N 3.24Å; D45-A48 VanDerWaalsContact O-N 3.13Å; I46-A48 VanDerWaalsContact C-N 3.29Å; I46-A48 PolarHBondContact O-N 3.48Å; A48-I50 VanDerWaalsContact C-N 3.32Å
49L91.6Very high90.2Very high23 Ų2336.1 Ų36.112%0.1221%0.214CC..Hα-helixtrans-75.8-18.9178.5-69.5167.3000113K7 Y10 R11 M41 D45 I46K7-L49 HydrophobicContact CB-CD1 4.45Å; K7-L49 HydrophobicContact CB-CD2 4.48Å; K7-L49 HydrophobicContact CG-CD1 4.35Å; Y10-L49 HydrophobicContact CD1-CB 4Å; Y10-L49 HydrophobicContact CD1-CD1 3.9Å; Y10-L49 HydrophobicContact CD1-CG 4.5Å; Y10-L49 HydrophobicContact CE1-CB 4.12Å; Y10-L49 HydrophobicContact CE1-CD1 4.39Å; Y10-L49 HydrophobicContact CG-CD1 4.41Å; R11-L49 HydrophobicContact CB-CD2 4.07Å; R11-L49 WeakPolarHBondContact CD-O 3.36Å; R11-L49 PolarHBondContact NH1-O 3.46Å; M41-L49 HydrophobicContact SD-CD1 4.18Å; D45-L49 HydrophobicContact CB-CD1 4.47Å; D45-L49 WeakPolarHBondContact O-CB 3.46Å; D45-L49 WeakPolarHBondContact O-CG 3.39Å; D45-L49 PolarHBondContact O-N 3.26Å; I46-L49 PolarHBondContact O-N 3.03Å
50I92.8Very high91.1Very high7 Ų739.2 Ų39.24%0.03624%0.236CC..SBendtrans-123.687.5177.6-45.6-178.2000110.9Y10 V14 I46 A48 I55 L100 R103Y10-I50 HydrophobicContact CE1-CD1 4.01Å; Y10-I50 HydrophobicContact CE1-CG1 4.02Å; V14-I50 HydrophobicContact CG1-CG2 4.45Å; V14-I50 HydrophobicContact CG2-CD1 4.35Å; V14-I50 HydrophobicContact CG2-CG1 3.97Å; I46-I50 HydrophobicContact CG2-CD1 4.11Å; I46-I50 PolarHBondContact O-N 3.38Å; A48-I50 VanDerWaalsContact C-N 3.32Å; I50-I55 HydrophobicContact CG2-CD1 3.74Å; I50-I55 HydrophobicContact CG2-CG1 3.41Å; I50-I55 VanDerWaalsContact CG2-CG1 3.41Å; I50-L100 HydrophobicContact CD1-CD1 3.38Å; I50-R103 HydrophobicContact CB-CG 4.25Å; I50-R103 PolarHBondContact O-NE 3.3Å; I50-R103 PolarHBondContact O-NH2 2.92Å
51P93.1Very high92.2Very high44 Ų4441.2 Ų41.229%0.28624%0.237SC..  trans-63.9147.5176.8-23.735.8000113.7A53 E54 I55P51-A53 VanDerWaalsContact C-N 3.28Å; P51-A53 PolarHBondContact O-N 3.4Å; P51-E54 HydrophobicContact CB-CG 4.44Å; P51-E54 PolarHBondContact O-N 3.38Å; P51-I55 PolarHBondContact O-N 3.26Å
52A93.6Very high92.7Very high11 Ų1141.8 Ų41.89%0.09124%0.242CC..Hα-helixtrans-60.1-34.3-176.300000113.7E54 R56 Y107A52-E54 VanDerWaalsContact C-N 3.32Å; A52-E54 PolarHBondContact O-N 2.95Å; A52-R56 PolarHBondContact O-N 2.88Å; A52-Y107 HydrophobicContact CB-CE1 3.7Å; A52-Y107 WeakPolarHBondContact CB-OH 3.42Å
53A93.2Very high92.9Very high71 Ų7142.4 Ų42.459%0.58725%0.245SC*.Hα-helixtrans-64.5-35.9175.900000112.4P51 R56 A57P51-A53 VanDerWaalsContact C-N 3.28Å; P51-A53 PolarHBondContact O-N 3.4Å; A53-R56 PolarHBondContact O-N 2.97Å; A53-A57 PolarHBondContact O-N 2.73Å
54E93.6Very high92.9Very high49 Ų4946.5 Ų46.523%0.22927%0.267CS..Hα-helixtrans-77.1-31.7-178.5-67.7175.1-151.200112.1R11 P51 A52 R56 A57 L58R11-E54 IonicContact CZ-OE1 2.67Å; R11-E54 IonicContact CZ-OE2 3.19Å; R11-E54 VanDerWaalsContact CZ-OE2 3.31Å; R11-E54 IonicContact NH1-OE1 3.71Å; R11-E54 IonicContact NH1-OE2 2.63Å; R11-E54 PolarHBondContact NH1-OE2 3.41Å; R11-E54 VanDerWaalsContact NH2-CD 3.26Å; R11-E54 IonicContact NH2-OE1 2.73Å; R11-E54 PolarHBondContact NH2-OE1 3.03Å; R11-E54 IonicContact NH2-OE2 3.62Å; R11-E54 PolarHBondContact NH2-OE2 2.95Å; P51-E54 HydrophobicContact CB-CG 4.44Å; P51-E54 PolarHBondContact O-N 3.38Å; A52-E54 VanDerWaalsContact C-N 3.32Å; A52-E54 PolarHBondContact O-N 2.95Å; E54-R56 VanDerWaalsContact C-N 3.3Å; E54-A57 PolarHBondContact O-N 3.04Å; E54-L58 WeakPolarHBondContact O-CB 3.42Å; E54-L58 PolarHBondContact O-N 3.04Å
55I95.2Very high93Very high1 Ų141.7 Ų41.71%0.00524%0.244CC..Hα-helixtrans-65.5-38.8172.5-52.6168.7000110.1I50 P51 R59 R103 L104 Y107I50-I55 HydrophobicContact CG2-CD1 3.74Å; I50-I55 HydrophobicContact CG2-CG1 3.41Å; I50-I55 VanDerWaalsContact CG2-CG1 3.41Å; P51-I55 PolarHBondContact O-N 3.26Å; I55-R59 WeakPolarHBondContact O-CB 3.17Å; I55-R59 PolarHBondContact O-N 3.27Å; I55-R103 HydrophobicContact CD1-CG 3.95Å; I55-L104 HydrophobicContact CD1-CD2 4.34Å; I55-L104 HydrophobicContact CG1-CD2 4.13Å; I55-L104 HydrophobicContact CG2-CD2 3.79Å; I55-Y107 HydrophobicContact CB-CD2 4.21Å; I55-Y107 HydrophobicContact CB-CG 4.25Å; I55-Y107 HydrophobicContact CD1-CD2 3.46Å; I55-Y107 VanDerWaalsContact CD1-CD2 3.46Å; I55-Y107 HydrophobicContact CD1-CE2 3.66Å; I55-Y107 HydrophobicContact CD1-CG 4.32Å; I55-Y107 HydrophobicContact CG1-CD2 4.42Å; I55-Y107 HydrophobicContact CG2-CD2 4.06Å; I55-Y107 HydrophobicContact CG2-CG 4.08Å
56R95.3Very high93.2Very high61 Ų6139.8 Ų39.823%0.2323%0.234CC..Hα-helixtrans-67.8-46.2174.4-68.8-175.9-178.6118.1-5.5112.1A52 A53 E54 L58 R59 T60 Y107 E110 E953A52-R56 PolarHBondContact O-N 2.88Å; A53-R56 PolarHBondContact O-N 2.97Å; E54-R56 VanDerWaalsContact C-N 3.3Å; R56-L58 VanDerWaalsContact C-N 3.33Å; R56-L58 PolarHBondContact O-N 3.44Å; R56-R59 WeakPolarHBondContact O-CB 3.49Å; R56-R59 PolarHBondContact O-N 3.46Å; R56-R59 VanDerWaalsContact O-N 3.12Å; R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 3.07Å; R56-T60 VanDerWaalsContact O-OG1 3.07Å; R56-Y107 HydrophobicContact CG-CD1 4.48Å; R56-E110 IonicContact CZ-OE1 3.83Å; R56-E110 IonicContact CZ-OE2 2.7Å; R56-E110 IonicContact NE-OE1 3.74Å; R56-E110 PolarHBondContact NE-OE1 3.04Å; R56-E110 IonicContact NE-OE2 3.04Å; R56-E110 PolarHBondContact NE-OE2 3.24Å; R56-E110 IonicContact NH2-OE1 3.89Å; R56-E110 PolarHBondContact NH2-OE1 2.77Å; R56-E110 IonicContact NH2-OE2 3.8Å; R56-E953 PolarHBondContact NH2-O 3.09Å
57A93.9Very high93.2Very high22 Ų2240.8 Ų40.818%0.18224%0.243CC..Hα-helixtrans-58-44.7174.100000111.6T18 A53 E54 R59 T60 E61T18-A57 HydrophobicContact CG2-CB 4.48Å; A53-A57 PolarHBondContact O-N 2.73Å; E54-A57 PolarHBondContact O-N 3.04Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 2.91Å; A57-T60 PolarHBondContact O-N 3.38Å; A57-T60 PolarHBondContact O-OG1 3.13Å; A57-E61 VanDerWaalsContact O-CB 3.24Å; A57-E61 WeakPolarHBondContact O-CB 3.46Å; A57-E61 PolarHBondContact O-N 3.02Å
58L93.8Very high93.2Very high8 Ų841.3 Ų41.34%0.04225%0.248CC..Hα-helixtrans-60.5-38175.1-178.451.1000112.1L17 T18 E54 R56 A62 N65 L66L17-L58 HydrophobicContact CB-CD1 3.86Å; L17-L58 HydrophobicContact CB-CD2 4.24Å; L17-L58 HydrophobicContact CD1-CD2 4.19Å; T18-L58 HydrophobicContact CG2-CB 3.72Å; T18-L58 HydrophobicContact CG2-CD1 4.37Å; E54-L58 WeakPolarHBondContact O-CB 3.42Å; E54-L58 PolarHBondContact O-N 3.04Å; R56-L58 VanDerWaalsContact C-N 3.33Å; R56-L58 PolarHBondContact O-N 3.44Å; L58-A62 HydrophobicContact CD1-CB 4.06Å; L58-A62 CarbonylContact O-C 3.47Å; L58-A62 PolarHBondContact O-N 3.35Å; L58-N65 HydrophobicContact CD1-CB 3.87Å; L58-L66 HydrophobicContact CD1-CB 4.4Å; L58-L66 HydrophobicContact CD2-CD1 4.02Å; L58-L66 HydrophobicContact CG-CB 4Å; L58-L66 HydrophobicContact CG-CD1 4.17Å
59R94.5Very high93.4Very high31 Ų3137.9 Ų37.912%0.11722%0.218CC..Hα-helixtrans-66.7-38.4174.8-163-176.282.8-140.76.4113I55 R56 A57 L66 Y107 E110 D111 W114I55-R59 WeakPolarHBondContact O-CB 3.17Å; I55-R59 PolarHBondContact O-N 3.27Å; R56-R59 WeakPolarHBondContact O-CB 3.49Å; R56-R59 PolarHBondContact O-N 3.46Å; R56-R59 VanDerWaalsContact O-N 3.12Å; A57-R59 VanDerWaalsContact C-N 3.31Å; A57-R59 PolarHBondContact O-N 2.91Å; R59-L66 HydrophobicContact CB-CD2 3.75Å; R59-L66 HydrophobicContact CG-CD2 3.91Å; R59-Y107 WeakPolarHBondContact CD-O 3.47Å; R59-Y107 PolarHBondContact NH1-O 3.39Å; R59-E110 IonicContact NH1-OE2 2.76Å; R59-E110 PolarHBondContact NH1-OE2 2.6Å; R59-D111 IonicContact CZ-OD2 3.27Å; R59-D111 VanDerWaalsContact CZ-OD2 3.25Å; R59-D111 IonicContact NE-OD2 2.89Å; R59-D111 PolarHBondContact NE-OD2 3.3Å; R59-D111 IonicContact NH2-OD2 2.75Å; R59-D111 PolarHBondContact NH2-OD2 2.9Å; R59-W114 HydrophobicContact CG-CZ2 4.24Å
60T93Very high93.6Very high93 Ų9336.8 Ų36.857%0.57121%0.213SC*.Hα-helixtrans-93.4-33.5-174.152.90000114.7R56 A57R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 3.07Å; R56-T60 VanDerWaalsContact O-OG1 3.07Å; A57-T60 PolarHBondContact O-N 3.38Å; A57-T60 PolarHBondContact O-OG1 3.13Å
61E92.7Very high93.6Very high143 Ų14340.4 Ų40.467%0.66823%0.227SC*.Hα-helixtrans-101.1-30.7-172-59.6173.9-160.800112.2A57A57-E61 VanDerWaalsContact O-CB 3.24Å; A57-E61 WeakPolarHBondContact O-CB 3.46Å; A57-E61 PolarHBondContact O-N 3.02Å
62A93.1Very high93.6Very high13 Ų1339.3 Ų39.311%0.10722%0.217CC..  trans-138.754.9-179.500000113.3L17 L58 N64 N65 L66L17-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 HydrophobicContact CD1-CB 4.06Å; L58-A62 CarbonylContact O-C 3.47Å; L58-A62 PolarHBondContact O-N 3.35Å; A62-N64 PolarHBondContact O-N 2.91Å; A62-N64 VanDerWaalsContact O-N 3.11Å; A62-N65 HydrophobicContact CB-CB 4.1Å; A62-N65 WeakPolarHBondContact O-CB 3.44Å; A62-N65 PolarHBondContact O-N 2.97Å; A62-L66 PolarHBondContact O-N 2.76Å
63P92.6Very high93.7Very high55 Ų5538.8 Ų38.836%0.35721%0.213SC..Hα-helixtrans-55.5-34-175.721.4-33.9000113.8N65 L66 A67 W114P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.13Å; P63-L66 WeakPolarHBondContact O-CB 2.99Å; P63-L66 PolarHBondContact O-N 2.89Å; P63-A67 WeakPolarHBondContact O-CB 3.16Å; P63-A67 PolarHBondContact O-N 3.02Å; P63-W114 HydrophobicContact CB-CH2 4.48Å; P63-W114 HydrophobicContact CB-CZ2 3.77Å; P63-W114 WeakPolarHBondContact O-CH2 3.47Å
64N91.7Very high93.8Very high104 Ų10435.6 Ų35.656%0.55619%0.186SC*.Hα-helixtrans-63-37.2175.5-66.6-10.9000112.4P23 A62 A67 T68P23-N64 HydrophobicContact CB-CB 4.37Å; P23-N64 HydrophobicContact CG-CB 4.14Å; A62-N64 PolarHBondContact O-N 2.91Å; A62-N64 VanDerWaalsContact O-N 3.11Å; N64-A67 PolarHBondContact O-N 3.49Å; N64-T68 PolarHBondContact O-N 3.23Å; N64-T68 PolarHBondContact O-OG1 2.82Å
65N93.1Very high93.7Very high3 Ų335.3 Ų35.32%0.01619%0.185CC..Hα-helixtrans-68.1-36.9175.5-77.8-16.6000111.2L17 P23 V24 L58 A62 P63 L69L17-N65 HydrophobicContact CB-CB 4.4Å; L17-N65 HydrophobicContact CD2-CB 3.96Å; L17-N65 PolarHBondContact O-ND2 3.31Å; P23-N65 VanDerWaalsContact CA-OD1 3.22Å; P23-N65 WeakPolarHBondContact CA-OD1 3.39Å; V24-N65 PolarHBondContact N-OD1 3.1Å; L58-N65 HydrophobicContact CD1-CB 3.87Å; A62-N65 HydrophobicContact CB-CB 4.1Å; A62-N65 WeakPolarHBondContact O-CB 3.44Å; A62-N65 PolarHBondContact O-N 2.97Å; P63-N65 VanDerWaalsContact C-N 3.33Å; P63-N65 PolarHBondContact O-N 3.13Å; N65-L69 VanDerWaalsContact O-CB 3.31Å; N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.43Å
66L94.6Very high93.6Very high0 Ų037.8 Ų37.80%019%0.194CC..Hα-helixtrans-66.1-44174.2-171.752.6000112L58 R59 A62 P63 L69 C70 L104 I108 W114L58-L66 HydrophobicContact CD1-CB 4.4Å; L58-L66 HydrophobicContact CD2-CD1 4.02Å; L58-L66 HydrophobicContact CG-CB 4Å; L58-L66 HydrophobicContact CG-CD1 4.17Å; R59-L66 HydrophobicContact CB-CD2 3.75Å; R59-L66 HydrophobicContact CG-CD2 3.91Å; A62-L66 PolarHBondContact O-N 2.76Å; P63-L66 WeakPolarHBondContact O-CB 2.99Å; P63-L66 PolarHBondContact O-N 2.89Å; L66-L69 PolarHBondContact O-N 2.82Å; L66-C70 WeakPolarHBondContact O-CB 3.24Å; L66-C70 PolarHBondContact O-N 2.89Å; L66-C70 PolarHBondContact O-SG 2.93Å; L66-L104 HydrophobicContact CD1-CD1 4.29Å; L66-L104 HydrophobicContact CD1-CD2 4.2Å; L66-I108 HydrophobicContact CD1-CD1 4.33Å; L66-I108 HydrophobicContact CD2-CD1 4.36Å; L66-I108 HydrophobicContact CD2-CG1 4.04Å; L66-I108 HydrophobicContact CG-CD1 4.33Å; L66-W114 HydrophobicContact CB-CH2 3.86Å; L66-W114 HydrophobicContact CB-CZ2 4.34Å; L66-W114 HydrophobicContact CD2-CH2 3.95Å; L66-W114 HydrophobicContact CD2-CZ2 3.95Å; L66-W114 HydrophobicContact CG-CH2 3.9Å; L66-W114 HydrophobicContact CG-CZ2 4.39Å; L66-W114 HydrophobicContact CG-CZ3 4.41Å
67A92.9Very high93.7Very high22 Ų2234.9 Ų34.918%0.18218%0.183CC..Hα-helixtrans-62-46.9177.100000111.5P63 N64 C70 Y71 W114 F117P63-A67 WeakPolarHBondContact O-CB 3.16Å; P63-A67 PolarHBondContact O-N 3.02Å; N64-A67 PolarHBondContact O-N 3.49Å; A67-C70 PolarHBondContact O-N 3.34Å; A67-Y71 WeakPolarHBondContact O-CB 3.46Å; A67-Y71 PolarHBondContact O-N 3.43Å; A67-W114 HydrophobicContact CB-CH2 4.14Å; A67-W114 HydrophobicContact CB-CZ3 4.33Å; A67-F117 HydrophobicContact CB-CE2 3.73Å; A67-F117 HydrophobicContact CB-CZ 3.96Å
68T92.6Very high93.7Very high31 Ų3134.9 Ų34.919%0.1918%0.183CC..Hα-helixtrans-65.2-39.9177-56.40000111.9W32 N64 Y71 K72W32-T68 HydrophobicContact CH2-CG2 3.75Å; W32-T68 HydrophobicContact CZ2-CG2 3.42Å; W32-T68 VanDerWaalsContact CZ2-CG2 3.42Å; N64-T68 PolarHBondContact O-N 3.23Å; N64-T68 PolarHBondContact O-OG1 2.82Å; T68-Y71 PolarHBondContact O-N 3.26Å; T68-K72 HydrophobicContact CG2-CG 4.32Å; T68-K72 WeakPolarHBondContact O-CB 3.4Å; T68-K72 WeakPolarHBondContact O-CG 3.22Å; T68-K72 PolarHBondContact O-N 3.43Å
69L94.7Very high93.6Very high3 Ų338.6 Ų38.62%0.01620%0.2CC..Hα-helixtrans-61.8-44.5174.9-17968.4000111.8L17 W32 F35 W36 N65 L66 A73 L100 L104L17-L69 HydrophobicContact CD1-CD1 4.38Å; L17-L69 HydrophobicContact CD1-CD2 3.79Å; L17-L69 HydrophobicContact CD1-CG 4.44Å; W32-L69 HydrophobicContact CE3-CD1 4.22Å; W32-L69 HydrophobicContact CZ3-CB 4Å; W32-L69 HydrophobicContact CZ3-CD1 3.94Å; F35-L69 HydrophobicContact CD1-CD1 3.99Å; F35-L69 HydrophobicContact CD2-CD1 3.98Å; F35-L69 HydrophobicContact CE1-CD1 4.15Å; F35-L69 HydrophobicContact CE2-CD1 4.14Å; F35-L69 HydrophobicContact CG-CD1 3.91Å; F35-L69 HydrophobicContact CZ-CD1 4.23Å; W36-L69 HydrophobicContact CH2-CD1 4.19Å; W36-L69 HydrophobicContact CZ3-CD1 4.39Å; N65-L69 VanDerWaalsContact O-CB 3.31Å; N65-L69 WeakPolarHBondContact O-CB 3.37Å; N65-L69 PolarHBondContact O-N 3.43Å; L66-L69 PolarHBondContact O-N 2.82Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.77Å; L69-L100 HydrophobicContact CD1-CD2 3.99Å; L69-L100 HydrophobicContact CD2-CD1 4.43Å; L69-L100 HydrophobicContact CD2-CD2 4.41Å; L69-L100 HydrophobicContact CG-CD2 4.24Å; L69-L104 HydrophobicContact CD2-CD1 3.73Å; L69-L104 HydrophobicContact CG-CD1 4.35Å
70C95.2Very high93.4Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-64.7-44.4176.2-66.30000111.5L66 A67 A73 I74 F117L66-C70 WeakPolarHBondContact O-CB 3.24Å; L66-C70 PolarHBondContact O-N 2.89Å; L66-C70 PolarHBondContact O-SG 2.93Å; A67-C70 PolarHBondContact O-N 3.34Å; C70-A73 PolarHBondContact O-N 2.85Å; C70-I74 WeakPolarHBondContact O-CB 3.28Å; C70-I74 WeakPolarHBondContact O-CD1 3.42Å; C70-I74 WeakPolarHBondContact O-CG1 3.46Å; C70-I74 PolarHBondContact O-N 2.91Å; C70-F117 HydrophobicContact CB-CE1 4.11Å; C70-F117 HydrophobicContact CB-CZ 4.29Å
71Y93Very high93.4Very high84 Ų8433.7 Ų33.733%0.32917%0.174SC..Hα-helixtrans-58.4-51.1175.6174.3-101.8000111.6A67 T68 A73 I74 E75 L122 L137A67-Y71 WeakPolarHBondContact O-CB 3.46Å; A67-Y71 PolarHBondContact O-N 3.43Å; T68-Y71 PolarHBondContact O-N 3.26Å; Y71-A73 PolarHBondContact O-N 3.13Å; Y71-I74 PolarHBondContact O-N 2.96Å; Y71-E75 WeakPolarHBondContact O-CB 3.42Å; Y71-E75 PolarHBondContact O-N 3.03Å; Y71-L122 HydrophobicContact CD2-CD1 4.12Å; Y71-L122 HydrophobicContact CD2-CD2 3.89Å; Y71-L122 HydrophobicContact CE2-CD1 3.68Å; Y71-L122 HydrophobicContact CE2-CD2 4.16Å; Y71-L137 HydrophobicContact CD2-CD1 4.23Å
72K93.2Very high93.2Very high21 Ų2132.6 Ų32.69%0.09117%0.168CC..Hα-helixtrans-62.5-39.6179.3-76.8-58.5-165.9172.60113.2S26 D29 W32 W36 T68 I74 E75 R76S26-K72 WeakPolarHBondContact O-CE 3.38Å; S26-K72 PolarHBondContact O-NZ 3.33Å; D29-K72 IonicContact OD1-NZ 3.78Å; W32-K72 HydrophobicContact CD2-CG 4.27Å; W32-K72 HydrophobicContact CG-CG 4.36Å; W36-K72 HydrophobicContact CH2-CB 3.68Å; W36-K72 HydrophobicContact CZ2-CB 3.71Å; T68-K72 HydrophobicContact CG2-CG 4.32Å; T68-K72 WeakPolarHBondContact O-CB 3.4Å; T68-K72 WeakPolarHBondContact O-CG 3.22Å; T68-K72 PolarHBondContact O-N 3.43Å; K72-I74 VanDerWaalsContact C-N 3.32Å; K72-I74 PolarHBondContact O-N 3.2Å; K72-E75 WeakPolarHBondContact CD-OE2 3.49Å; K72-E75 WeakPolarHBondContact CE-OE2 3.39Å; K72-E75 IonicContact NZ-OE2 2.75Å; K72-E75 PolarHBondContact NZ-OE2 3.17Å; K72-E75 PolarHBondContact O-N 3.37Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 3.29Å
73A95.2Very high92.6Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-63.7-38175.300000112.3W36 L69 C70 Y71 I77 C97 L100 L101W36-A73 HydrophobicContact CH2-CB 4.44Å; W36-A73 HydrophobicContact CZ3-CB 3.99Å; L69-A73 WeakPolarHBondContact O-CB 3.48Å; L69-A73 PolarHBondContact O-N 2.77Å; C70-A73 PolarHBondContact O-N 2.85Å; Y71-A73 PolarHBondContact O-N 3.13Å; A73-I77 VanDerWaalsContact O-CG1 3.3Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 3.43Å; A73-C97 HydrophobicContact CB-CB 4.39Å; A73-L100 HydrophobicContact CB-CD2 4.4Å; A73-L101 HydrophobicContact CB-CD1 4.26Å; A73-L101 HydrophobicContact CB-CD2 4.04Å; A73-L101 HydrophobicContact CB-CG 4.06Å
74I95.7Very high91.7Very high3 Ų332.3 Ų32.32%0.01517%0.168CC..Hα-helixtrans-76.8-38.1178.8-62.6169.5000111.1C70 Y71 K72 R76 I77 A78 L101 L137 L141C70-I74 WeakPolarHBondContact O-CB 3.28Å; C70-I74 WeakPolarHBondContact O-CD1 3.42Å; C70-I74 WeakPolarHBondContact O-CG1 3.46Å; C70-I74 PolarHBondContact O-N 2.91Å; Y71-I74 PolarHBondContact O-N 2.96Å; K72-I74 VanDerWaalsContact C-N 3.32Å; K72-I74 PolarHBondContact O-N 3.2Å; I74-R76 PolarHBondContact O-N 3.03Å; I74-I77 PolarHBondContact O-N 2.91Å; I74-A78 PolarHBondContact O-N 2.76Å; I74-L101 HydrophobicContact CD1-CD1 4.5Å; I74-L101 HydrophobicContact CG1-CD1 3.7Å; I74-L101 HydrophobicContact CG1-CD2 4.31Å; I74-L137 HydrophobicContact CB-CD1 4.01Å; I74-L137 HydrophobicContact CD1-CD1 3.81Å; I74-L137 HydrophobicContact CD1-CD2 3.96Å; I74-L137 HydrophobicContact CD1-CG 3.67Å; I74-L137 HydrophobicContact CG2-CD1 3.76Å; I74-L141 HydrophobicContact CD1-CB 4.3Å; I74-L141 HydrophobicContact CD1-CD2 3.99Å; I74-L141 HydrophobicContact CG1-CB 4.42Å; I74-L141 HydrophobicContact CG1-CD1 4.13Å; I74-L141 HydrophobicContact CG1-CD2 4.26Å; I74-L141 HydrophobicContact CG2-CB 3.96Å; I74-L141 HydrophobicContact CG2-CD1 4.43Å
75E92.7Very high91.1Very high44 Ų4431.3 Ų31.321%0.20617%0.169CC..Hα-helixtrans-55.2-49170.7174.4179.2-127.900110.8Y71 K72 I77 A78 Q79Y71-E75 WeakPolarHBondContact O-CB 3.42Å; Y71-E75 PolarHBondContact O-N 3.03Å; K72-E75 WeakPolarHBondContact CD-OE2 3.49Å; K72-E75 WeakPolarHBondContact CE-OE2 3.39Å; K72-E75 IonicContact NZ-OE2 2.75Å; K72-E75 PolarHBondContact NZ-OE2 3.17Å; K72-E75 PolarHBondContact O-N 3.37Å; E75-I77 VanDerWaalsContact C-N 3.35Å; E75-I77 PolarHBondContact O-N 2.86Å; E75-A78 PolarHBondContact O-N 2.71Å; E75-Q79 HydrophobicContact CG-CG 4.44Å; E75-Q79 VanDerWaalsContact CG-NE2 3.3Å; E75-Q79 WeakPolarHBondContact O-CB 3.28Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.49Å; E75-Q79 PolarHBondContact O-N 2.89Å
76R92.7Very high90.9Very high52 Ų5231.6 Ų31.620%0.19617%0.171CC..Hα-helixtrans-63-36.9176.1-71.1-62.4-166.7-141.53.1113D33 W36 K72 I74 V80 T93D33-R76 IonicContact OD1-CZ 3.31Å; D33-R76 IonicContact OD1-NE 3.7Å; D33-R76 IonicContact OD1-NH2 2.68Å; D33-R76 PolarHBondContact OD1-NH2 3.17Å; D33-R76 IonicContact OD2-NH2 2.67Å; W36-R76 HydrophobicContact CD2-CG 4.24Å; W36-R76 HydrophobicContact CG-CG 4.36Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 3.29Å; I74-R76 PolarHBondContact O-N 3.03Å; R76-V80 WeakPolarHBondContact O-CG2 3.5Å; R76-V80 PolarHBondContact O-N 3.39Å; R76-T93 HydrophobicContact CB-CG2 4.43Å
77I95.9Very high90.7Very high0 Ų035.3 Ų35.30%019%0.194CC..Hα-helixtrans-66.9-43.6176.2-72.3167.7000110.8A73 I74 E75 S81 C97 I98 L101 L141 A144 L145 L148A73-I77 VanDerWaalsContact O-CG1 3.3Å; A73-I77 WeakPolarHBondContact O-CG1 3.23Å; A73-I77 PolarHBondContact O-N 3.43Å; I74-I77 PolarHBondContact O-N 2.91Å; E75-I77 VanDerWaalsContact C-N 3.35Å; E75-I77 PolarHBondContact O-N 2.86Å; I77-S81 WeakPolarHBondContact O-CB 3.42Å; I77-S81 PolarHBondContact O-N 3.38Å; I77-S81 PolarHBondContact O-OG 3.22Å; I77-C97 HydrophobicContact CD1-CB 3.72Å; I77-C97 HydrophobicContact CG1-CB 3.68Å; I77-I98 HydrophobicContact CD1-CG1 4.07Å; I77-L101 HydrophobicContact CD1-CD1 3.63Å; I77-L141 HydrophobicContact CD1-CD1 4.23Å; I77-L141 HydrophobicContact CG2-CD1 4.5Å; I77-A144 HydrophobicContact CG2-CB 3.85Å; I77-L145 HydrophobicContact CG2-CD2 4.13Å; I77-L148 HydrophobicContact CG2-CD1 3.81Å
78A94.1Very high90.6Very high22 Ų2239.9 Ų39.918%0.18222%0.22CC..Hα-helixtrans-62.8-52.3176.900000111.8I74 E75 V80 S81 E82 A144I74-A78 PolarHBondContact O-N 2.76Å; E75-A78 PolarHBondContact O-N 2.71Å; A78-V80 PolarHBondContact O-N 3Å; A78-V80 VanDerWaalsContact O-N 3.14Å; A78-S81 WeakPolarHBondContact CA-OG 3.33Å; A78-S81 PolarHBondContact O-N 2.84Å; A78-S81 PolarHBondContact O-OG 3.03Å; A78-E82 PolarHBondContact O-N 3.47Å; A78-E82 VanDerWaalsContact O-N 3.15Å; A78-A144 HydrophobicContact CB-CB 4.44Å
79Q91.6Very high90.5Very high87 Ų8743.5 Ų43.541%0.40723%0.233SC..Hα-helixtrans-51.9-38.5178.9-76.3171.8-1.700113.2E75E75-Q79 HydrophobicContact CG-CG 4.44Å; E75-Q79 VanDerWaalsContact CG-NE2 3.3Å; E75-Q79 WeakPolarHBondContact O-CB 3.28Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.49Å; E75-Q79 PolarHBondContact O-N 2.89Å
80V92.2Very high90.3Very high15 Ų1545.7 Ų45.79%0.09125%0.245CC..Hα-helixtrans-81.7-33177.71780000112.1R76 A78 E82 S83 P86 D90 V94R76-V80 WeakPolarHBondContact O-CG2 3.5Å; R76-V80 PolarHBondContact O-N 3.39Å; A78-V80 PolarHBondContact O-N 3Å; A78-V80 VanDerWaalsContact O-N 3.14Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 3.5Å; V80-S83 PolarHBondContact O-N 2.98Å; V80-P86 HydrophobicContact CG1-CB 3.71Å; V80-D90 HydrophobicContact CB-CB 4.49Å; V80-D90 HydrophobicContact CG1-CB 3.71Å; V80-D90 HydrophobicContact CG2-CB 3.9Å; V80-V94 HydrophobicContact CB-CG2 3.44Å; V80-V94 VanDerWaalsContact CB-CG2 3.44Å; V80-V94 HydrophobicContact CG1-CG2 3.44Å; V80-V94 VanDerWaalsContact CG1-CG2 3.44Å; V80-V94 HydrophobicContact CG2-CG2 3.91Å
81S92.3Very high90.3Very high5 Ų547.5 Ų47.54%0.03525%0.253CS..Hα-helixtrans-65.4-26.217872.70000114I77 A78 S83 A144 M170I77-S81 WeakPolarHBondContact O-CB 3.42Å; I77-S81 PolarHBondContact O-N 3.38Å; I77-S81 PolarHBondContact O-OG 3.22Å; A78-S81 WeakPolarHBondContact CA-OG 3.33Å; A78-S81 PolarHBondContact O-N 2.84Å; A78-S81 PolarHBondContact O-OG 3.03Å; S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.05Å; S81-A144 VanDerWaalsContact OG-CB 3.3Å; S81-A144 WeakPolarHBondContact OG-CB 3.15Å; S81-M170 VanDerWaalsContact O-CE 3.3Å; S81-M170 WeakPolarHBondContact O-CE 3.44Å; S81-M170 VanDerWaalsContact O-CG 3.3Å; S81-M170 WeakPolarHBondContact O-CG 3.45Å
82E87.7Confident90.2Very high120 Ų12045 Ų4556%0.56125%0.246SC*.THydrogen-bonded Turntrans-69.3-25.3175.2-70.5169.2-160.800112.3A78 V80A78-E82 PolarHBondContact O-N 3.47Å; A78-E82 VanDerWaalsContact O-N 3.15Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 3.5Å
83S81.2Confident90.2Very high46 Ų4644.9 Ų44.932%0.32225%0.246SC..  trans-82.4122176.1-177.60000111.9V80 S81 S85 M170V80-S83 PolarHBondContact O-N 2.98Å; S81-S83 VanDerWaalsContact C-N 3.28Å; S81-S83 PolarHBondContact O-N 3.05Å; S83-S85 PolarHBondContact O-N 3.4Å; S83-S85 PolarHBondContact OG-N 3.27Å; S83-M170 WeakPolarHBondContact O-CE 3.46Å
84A73Confident90.2Very high17 Ų1744.9 Ų44.914%0.1425%0.246CC..SBendtrans-72.8-7.4174.200000114.5E168 I173A84-E168 WeakPolarHBondContact CB-O 3.43Å; A84-I173 HydrophobicContact CB-CD1 4.32Å
85S80.2Confident90.2Very high83 Ų8345.5 Ų45.558%0.5825%0.249SC*.SBendtrans-141.171.517847.60000111.3S83 T87S83-S85 PolarHBondContact O-N 3.4Å; S83-S85 PolarHBondContact OG-N 3.27Å; S85-T87 PolarHBondContact O-N 3.4Å
86P87.7Confident90.2Very high8 Ų843.4 Ų43.45%0.05224%0.24CC..  trans-66131-179.129.3-36.3000110.9V80 D90 Q91 C151 F154V80-P86 HydrophobicContact CG1-CB 3.71Å; P86-D90 HydrophobicContact CB-CB 3.97Å; P86-Q91 HydrophobicContact CB-CG 4.06Å; P86-Q91 HydrophobicContact CG-CG 3.96Å; P86-Q91 PolarHBondContact O-NE2 3.31Å; P86-Q91 VanDerWaalsContact O-NE2 3.17Å; P86-C151 WeakPolarHBondContact CD-SG 3.26Å; P86-C151 WeakPolarHBondContact CG-SG 3.3Å; P86-F154 HydrophobicContact CG-CB 4.11Å
87T91.1Very high90.4Very high78 Ų7840.9 Ų40.948%0.47923%0.23SC..  trans-67.6164.9178.375.20000110.8S85 K89 D90 Q91S85-T87 PolarHBondContact O-N 3.4Å; T87-K89 PolarHBondContact O-N 3.01Å; T87-K89 PolarHBondContact OG1-N 3.14Å; T87-D90 WeakPolarHBondContact CA-OD2 3.28Å; T87-D90 WeakPolarHBondContact CB-OD2 3.46Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.4Å; T87-D90 PolarHBondContact N-OD2 3.49Å; T87-D90 PolarHBondContact O-N 2.93Å; T87-D90 PolarHBondContact OG1-N 3.41Å; T87-D90 PolarHBondContact OG1-OD2 3.01Å; T87-Q91 WeakPolarHBondContact O-CG 3.41Å; T87-Q91 PolarHBondContact O-N 2.99Å
88T90.3Very high90.4Very high118 Ų11841 Ų4172%0.72423%0.231SC*.Hα-helixtrans-55.5-27.5176.4-42.80000113L92T88-L92 VanDerWaalsContact O-CB 3.26Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 PolarHBondContact O-N 2.87Å
89K90.1Very high90.5Very high108 Ų10841 Ų4147%0.4723%0.226SC..Hα-helixtrans-72-40.4172.7175.7174.2170.7169.50111.9E38 T87 L92 T93E38-K89 HydrophobicContact CG-CD 4.3Å; E38-K89 WeakPolarHBondContact OE1-CD 3.37Å; E38-K89 VanDerWaalsContact OE1-CE 3.23Å; E38-K89 WeakPolarHBondContact OE1-CE 3.4Å; E38-K89 IonicContact OE1-NZ 2.68Å; E38-K89 PolarHBondContact OE1-NZ 3.42Å; T87-K89 PolarHBondContact O-N 3.01Å; T87-K89 PolarHBondContact OG1-N 3.14Å; K89-L92 PolarHBondContact O-N 3.24Å; K89-T93 WeakPolarHBondContact O-CB 3.47Å; K89-T93 PolarHBondContact O-N 3.46Å; K89-T93 PolarHBondContact O-OG1 3.44Å
90D92.2Very high90.7Very high48 Ų4836.9 Ų36.926%0.25721%0.207SC..Hα-helixtrans-73.1-41.6-177.5-48.8-44.6000110.8V80 P86 T87 L92 T93 V94V80-D90 HydrophobicContact CB-CB 4.49Å; V80-D90 HydrophobicContact CG1-CB 3.71Å; V80-D90 HydrophobicContact CG2-CB 3.9Å; P86-D90 HydrophobicContact CB-CB 3.97Å; T87-D90 WeakPolarHBondContact CA-OD2 3.28Å; T87-D90 WeakPolarHBondContact CB-OD2 3.46Å; T87-D90 WeakPolarHBondContact CG2-OD2 3.4Å; T87-D90 PolarHBondContact N-OD2 3.49Å; T87-D90 PolarHBondContact O-N 2.93Å; T87-D90 PolarHBondContact OG1-N 3.41Å; T87-D90 PolarHBondContact OG1-OD2 3.01Å; D90-L92 VanDerWaalsContact C-N 3.29Å; D90-L92 PolarHBondContact O-N 3.44Å; D90-T93 WeakPolarHBondContact O-CB 3.35Å; D90-T93 PolarHBondContact O-N 2.77Å; D90-V94 WeakPolarHBondContact O-CB 3.38Å; D90-V94 WeakPolarHBondContact O-CG2 3.28Å; D90-V94 PolarHBondContact O-N 3.32Å
91Q93.5Very high90.9Very high38 Ų3836.1 Ų36.118%0.17820%0.202CC..Hα-helixtrans-56.2-43.8170.5-64-175.29.700111.4P86 T87 L95 D153 F154P86-Q91 HydrophobicContact CB-CG 4.06Å; P86-Q91 HydrophobicContact CG-CG 3.96Å; P86-Q91 PolarHBondContact O-NE2 3.31Å; P86-Q91 VanDerWaalsContact O-NE2 3.17Å; T87-Q91 WeakPolarHBondContact O-CG 3.41Å; T87-Q91 PolarHBondContact O-N 2.99Å; Q91-L95 VanDerWaalsContact O-CG 3.28Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 2.95Å; Q91-D153 PolarHBondContact NE2-O 3.44Å; Q91-F154 HydrophobicContact CB-CD2 3.78Å; Q91-F154 HydrophobicContact CB-CE2 3.85Å; Q91-F154 HydrophobicContact CG-CB 4.27Å; Q91-F154 HydrophobicContact CG-CD2 3.5Å; Q91-F154 HydrophobicContact CG-CE2 4.1Å; Q91-F154 HydrophobicContact CG-CG 4.07Å
92L92.5Very high91.2Very high33 Ų3336 Ų3617%0.17320%0.201CC..Hα-helixtrans-68.2-41.3178-176.862.3000112.6E38 P40 T88 K89 D90 L95 N96E38-L92 VanDerWaalsContact C-CD2 3.5Å; P40-L92 HydrophobicContact CB-CD1 4.17Å; T88-L92 VanDerWaalsContact O-CB 3.26Å; T88-L92 WeakPolarHBondContact O-CB 3.37Å; T88-L92 PolarHBondContact O-N 2.87Å; K89-L92 PolarHBondContact O-N 3.24Å; D90-L92 VanDerWaalsContact C-N 3.29Å; D90-L92 PolarHBondContact O-N 3.44Å; L92-L95 PolarHBondContact O-N 2.98Å; L92-N96 WeakPolarHBondContact O-CB 3.46Å; L92-N96 PolarHBondContact O-N 3.47Å
93T92.6Very high91.6Very high17 Ų1731 Ų3110%0.10418%0.177CC..Hα-helixtrans-56.5-52.4173.6-62.10000110.4W36 R76 K89 D90 L95 N96 C97W36-T93 HydrophobicContact CB-CG2 3.79Å; W36-T93 HydrophobicContact CG-CG2 4.46Å; R76-T93 HydrophobicContact CB-CG2 4.43Å; K89-T93 WeakPolarHBondContact O-CB 3.47Å; K89-T93 PolarHBondContact O-N 3.46Å; K89-T93 PolarHBondContact O-OG1 3.44Å; D90-T93 WeakPolarHBondContact O-CB 3.35Å; D90-T93 PolarHBondContact O-N 2.77Å; T93-L95 PolarHBondContact O-N 2.85Å; T93-N96 PolarHBondContact O-N 2.97Å; T93-C97 PolarHBondContact O-N 3.37Å; T93-C97 PolarHBondContact O-SG 3.48Å; T93-C97 VanDerWaalsContact O-SG 3.4Å
94V94.9Very high92.3Very high0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-57.3-49.2176.8160.60000111.7V80 D90 N96 C97 I98 L148 F154V80-V94 HydrophobicContact CB-CG2 3.44Å; V80-V94 VanDerWaalsContact CB-CG2 3.44Å; V80-V94 HydrophobicContact CG1-CG2 3.44Å; V80-V94 VanDerWaalsContact CG1-CG2 3.44Å; V80-V94 HydrophobicContact CG2-CG2 3.91Å; D90-V94 WeakPolarHBondContact O-CB 3.38Å; D90-V94 WeakPolarHBondContact O-CG2 3.28Å; D90-V94 PolarHBondContact O-N 3.32Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 2.97Å; V94-C97 PolarHBondContact O-N 2.68Å; V94-I98 HydrophobicContact CG1-CD1 3.53Å; V94-I98 HydrophobicContact CG1-CG1 4.3Å; V94-I98 WeakPolarHBondContact O-CB 3Å; V94-I98 VanDerWaalsContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG1 3.42Å; V94-I98 PolarHBondContact O-N 3.3Å; V94-L148 HydrophobicContact CG1-CD1 3.74Å; V94-L148 HydrophobicContact CG1-CD2 4.41Å; V94-L148 HydrophobicContact CG2-CD1 4.34Å; V94-F154 HydrophobicContact CG1-CE1 4.15Å; V94-F154 HydrophobicContact CG1-CZ 3.97Å
95L95.6Very high93.5Very high16 Ų1628.1 Ų28.18%0.08416%0.156CC..Hα-helixtrans-62.3-39.6180-72.5169.1000112Q91 L92 T93 I98 R99 F154 E202Q91-L95 VanDerWaalsContact O-CG 3.28Å; Q91-L95 WeakPolarHBondContact O-CG 3.49Å; Q91-L95 PolarHBondContact O-N 2.95Å; L92-L95 PolarHBondContact O-N 2.98Å; T93-L95 PolarHBondContact O-N 2.85Å; L95-I98 PolarHBondContact O-N 3.36Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 WeakPolarHBondContact O-CD 3.47Å; L95-R99 WeakPolarHBondContact O-CG 3.43Å; L95-R99 PolarHBondContact O-N 3.2Å; L95-F154 HydrophobicContact CD1-CE2 4.21Å; L95-F154 HydrophobicContact CD2-CE2 4.45Å; L95-F154 HydrophobicContact CD2-CZ 4.21Å; L95-F154 HydrophobicContact CG-CE2 4.17Å; L95-F154 HydrophobicContact CG-CZ 4.18Å; L95-E202 HydrophobicContact CD2-CB 4.33Å
96N93.9Very high94.2Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-64.7-42175-74.5-17.3000111.9A37 Y39 M41 L92 T93 V94 R99 L100A37-N96 PolarHBondContact O-ND2 3.46Å; Y39-N96 PolarHBondContact O-ND2 3.38Å; M41-N96 HydrophobicContact CE-CB 4.42Å; L92-N96 WeakPolarHBondContact O-CB 3.46Å; L92-N96 PolarHBondContact O-N 3.47Å; T93-N96 PolarHBondContact O-N 2.97Å; V94-N96 VanDerWaalsContact C-N 3.33Å; V94-N96 PolarHBondContact O-N 2.97Å; N96-R99 PolarHBondContact O-N 3.28Å; N96-R99 PolarHBondContact OD1-NH1 2.94Å; N96-L100 WeakPolarHBondContact O-CB 3.33Å; N96-L100 PolarHBondContact O-N 3.41Å
97C95.6Very high94.6Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-63.4-41.6172.9-680000112.8A73 I77 T93 V94 L100 L101A73-C97 HydrophobicContact CB-CB 4.39Å; I77-C97 HydrophobicContact CD1-CB 3.72Å; I77-C97 HydrophobicContact CG1-CB 3.68Å; T93-C97 PolarHBondContact O-N 3.37Å; T93-C97 PolarHBondContact O-SG 3.48Å; T93-C97 VanDerWaalsContact O-SG 3.4Å; V94-C97 PolarHBondContact O-N 2.68Å; C97-L100 PolarHBondContact O-N 2.98Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.9Å
98I97Very high94.9Very high1 Ų120.2 Ų20.21%0.00510%0.103CC..Hα-helixtrans-61.7-46.6178-74.8169.4000111.1I77 V94 L95 L100 L101 T102 L145 E202 I203 L206I77-I98 HydrophobicContact CD1-CG1 4.07Å; V94-I98 HydrophobicContact CG1-CD1 3.53Å; V94-I98 HydrophobicContact CG1-CG1 4.3Å; V94-I98 WeakPolarHBondContact O-CB 3Å; V94-I98 VanDerWaalsContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG1 3.42Å; V94-I98 PolarHBondContact O-N 3.3Å; L95-I98 PolarHBondContact O-N 3.36Å; I98-L100 VanDerWaalsContact C-N 3.33Å; I98-L100 PolarHBondContact O-N 2.97Å; I98-L101 PolarHBondContact O-N 2.95Å; I98-T102 VanDerWaalsContact O-CB 3.32Å; I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.45Å; I98-T102 PolarHBondContact O-OG1 2.9Å; I98-L145 HydrophobicContact CD1-CD2 4.06Å; I98-L145 HydrophobicContact CG1-CD2 4.02Å; I98-E202 HydrophobicContact CG2-CB 4.23Å; I98-E202 WeakPolarHBondContact CG2-O 3.3Å; I98-I203 HydrophobicContact CD1-CG1 3.63Å; I98-L206 HydrophobicContact CB-CD2 4.26Å; I98-L206 HydrophobicContact CG1-CD2 4.04Å; I98-L206 HydrophobicContact CG2-CB 4.06Å; I98-L206 HydrophobicContact CG2-CD2 4.17Å
99R95.7Very high95.1Very high23 Ų2314.7 Ų14.79%0.0877%0.069CC..Hα-helixtrans-61.7-40.7176.8-69.1163.9-174144.76.9111.8M41 I43 I46 L95 N96 R103 E202M41-R99 PolarHBondContact O-NH1 3.04Å; I43-R99 HydrophobicContact CB-CG 3.94Å; I43-R99 HydrophobicContact CD1-CB 4.44Å; I43-R99 HydrophobicContact CD1-CG 4.06Å; I43-R99 HydrophobicContact CG1-CB 4.14Å; I43-R99 HydrophobicContact CG1-CG 3.92Å; I46-R99 HydrophobicContact CD1-CB 3.52Å; I46-R99 HydrophobicContact CD1-CG 4.43Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 WeakPolarHBondContact O-CD 3.47Å; L95-R99 WeakPolarHBondContact O-CG 3.43Å; L95-R99 PolarHBondContact O-N 3.2Å; N96-R99 PolarHBondContact O-N 3.28Å; N96-R99 PolarHBondContact OD1-NH1 2.94Å; R99-R103 PolarHBondContact O-N 3.43Å; R99-R103 VanDerWaalsContact O-N 3.14Å; R99-E202 VanDerWaalsContact CG-OE2 3.23Å; R99-E202 WeakPolarHBondContact CG-OE2 3.21Å; R99-E202 IonicContact CZ-OE1 3.63Å; R99-E202 IonicContact CZ-OE2 3.09Å; R99-E202 IonicContact NE-OE1 3.67Å; R99-E202 IonicContact NE-OE2 2.73Å; R99-E202 PolarHBondContact NE-OE2 3.2Å; R99-E202 IonicContact NH2-OE1 3.46Å; R99-E202 PolarHBondContact NH2-OE1 2.92Å; R99-E202 IonicContact NH2-OE2 3.67Å
100L95.4Very high95.3Very high0 Ų09.9 Ų9.90%05%0.048CC..Hα-helixtrans-63.4-51.7175.617560.7000112W36 I50 L69 A73 N96 C97 I98 T102 R103 L104W36-L100 HydrophobicContact CZ3-CD2 4.05Å; I50-L100 HydrophobicContact CD1-CD1 3.38Å; L69-L100 HydrophobicContact CD1-CD2 3.99Å; L69-L100 HydrophobicContact CD2-CD1 4.43Å; L69-L100 HydrophobicContact CD2-CD2 4.41Å; L69-L100 HydrophobicContact CG-CD2 4.24Å; A73-L100 HydrophobicContact CB-CD2 4.4Å; N96-L100 WeakPolarHBondContact O-CB 3.33Å; N96-L100 PolarHBondContact O-N 3.41Å; C97-L100 PolarHBondContact O-N 2.98Å; I98-L100 VanDerWaalsContact C-N 3.33Å; I98-L100 PolarHBondContact O-N 2.97Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-R103 WeakPolarHBondContact O-CA 3.39Å; L100-R103 WeakPolarHBondContact O-CB 3.34Å; L100-R103 PolarHBondContact O-N 2.7Å; L100-L104 HydrophobicContact CD1-CD1 3.77Å; L100-L104 HydrophobicContact CD1-CG 3.98Å; L100-L104 HydrophobicContact CG-CD1 3.94Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.07Å
101L97.3Very high95.4Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-63.4-38.6179.2-68.9173.3000111.8A73 I74 I77 C97 I98 R103 L104 L105 L141 L206A73-L101 HydrophobicContact CB-CD1 4.26Å; A73-L101 HydrophobicContact CB-CD2 4.04Å; A73-L101 HydrophobicContact CB-CG 4.06Å; I74-L101 HydrophobicContact CD1-CD1 4.5Å; I74-L101 HydrophobicContact CG1-CD1 3.7Å; I74-L101 HydrophobicContact CG1-CD2 4.31Å; I77-L101 HydrophobicContact CD1-CD1 3.63Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.9Å; I98-L101 PolarHBondContact O-N 2.95Å; L101-R103 PolarHBondContact O-N 2.98Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L101-L105 WeakPolarHBondContact O-CG 3.36Å; L101-L105 PolarHBondContact O-N 3.29Å; L101-L141 HydrophobicContact CD1-CD1 4.07Å; L101-L141 HydrophobicContact CD1-CD2 4.37Å; L101-L206 HydrophobicContact CB-CD1 3.71Å; L101-L206 HydrophobicContact CB-CD2 4Å; L101-L206 HydrophobicContact CD1-CD2 4.14Å
102T97.5Very high95.2Very high1 Ų110.7 Ų10.71%0.0066%0.057CC..Hα-helixtrans-59.3-30.3173.2-56.70000111.9I43 F47 I98 L100 P106 I950I43-T102 HydrophobicContact CD1-CG2 4.26Å; F47-T102 HydrophobicContact CZ-CG2 4.48Å; I98-T102 VanDerWaalsContact O-CB 3.32Å; I98-T102 WeakPolarHBondContact O-CB 3.46Å; I98-T102 PolarHBondContact O-N 3.45Å; I98-T102 PolarHBondContact O-OG1 2.9Å; L100-T102 VanDerWaalsContact C-N 3.32Å; L100-T102 PolarHBondContact O-N 3.12Å; T102-P106 WeakPolarHBondContact O-CD 3.46Å; T102-I950 HydrophobicContact CG2-CD1 4.01Å; T102-I950 HydrophobicContact CG2-CG1 4.16Å; T102-I950 HydrophobicContact CG2-CG2 4.36Å
103R96.1Very high95Very high17 Ų1716.7 Ų16.76%0.0648%0.084CC..Hα-helixtrans-80.7-35.2175.3-176.952.7176158.73.3113.4I46 F47 I50 I55 R99 L100 L101 Y107I46-R103 HydrophobicContact CG2-CB 4.34Å; F47-R103 HydrophobicContact CD2-CB 4.03Å; F47-R103 HydrophobicContact CD2-CG 4.17Å; F47-R103 HydrophobicContact CE2-CB 3.69Å; F47-R103 HydrophobicContact CE2-CG 4.23Å; F47-R103 HydrophobicContact CZ-CB 4.19Å; I50-R103 HydrophobicContact CB-CG 4.25Å; I50-R103 PolarHBondContact O-NE 3.3Å; I50-R103 PolarHBondContact O-NH2 2.92Å; I55-R103 HydrophobicContact CD1-CG 3.95Å; R99-R103 PolarHBondContact O-N 3.43Å; R99-R103 VanDerWaalsContact O-N 3.14Å; L100-R103 WeakPolarHBondContact O-CA 3.39Å; L100-R103 WeakPolarHBondContact O-CB 3.34Å; L100-R103 PolarHBondContact O-N 2.7Å; L101-R103 PolarHBondContact O-N 2.98Å; R103-Y107 PolarHBondContact NH1-OH 3.12Å; R103-Y107 WeakPolarHBondContact O-CD2 3.27Å
104L96.7Very high94.9Very high1 Ų117.1 Ų17.11%0.0058%0.083CC..Hα-helixtrans-84.8-48-173.8-66175.9000113.8I55 L66 L69 L100 L101 P106 Y107 I108I55-L104 HydrophobicContact CD1-CD2 4.34Å; I55-L104 HydrophobicContact CG1-CD2 4.13Å; I55-L104 HydrophobicContact CG2-CD2 3.79Å; L66-L104 HydrophobicContact CD1-CD1 4.29Å; L66-L104 HydrophobicContact CD1-CD2 4.2Å; L69-L104 HydrophobicContact CD2-CD1 3.73Å; L69-L104 HydrophobicContact CG-CD1 4.35Å; L100-L104 HydrophobicContact CD1-CD1 3.77Å; L100-L104 HydrophobicContact CD1-CG 3.98Å; L100-L104 HydrophobicContact CG-CD1 3.94Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CG 3.49Å; L100-L104 PolarHBondContact O-N 3.07Å; L101-L104 PolarHBondContact O-N 3.11Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L104-P106 VanDerWaalsContact C-CD 3.41Å; L104-Y107 PolarHBondContact O-N 2.73Å; L104-I108 HydrophobicContact CB-CD1 4.19Å; L104-I108 PolarHBondContact O-N 2.92Å
105L96.8Very high94.4Very high0 Ų019.2 Ų19.20%09%0.091CC..Hα-helixtrans-52.1-42-171.9-70.1177.3000114.4L101 Y107 I108 F109 F118 L206 T209L101-L105 WeakPolarHBondContact O-CG 3.36Å; L101-L105 PolarHBondContact O-N 3.29Å; L105-Y107 PolarHBondContact O-N 3.4Å; L105-Y107 VanDerWaalsContact O-N 3.14Å; L105-I108 HydrophobicContact CD2-CD1 4.44Å; L105-I108 PolarHBondContact O-N 3.38Å; L105-F109 HydrophobicContact CB-CE2 4.05Å; L105-F109 HydrophobicContact CB-CZ 4.47Å; L105-F109 HydrophobicContact CD2-CZ 4.31Å; L105-F109 WeakPolarHBondContact O-CD2 3.43Å; L105-F109 PolarHBondContact O-N 3.09Å; L105-F118 HydrophobicContact CD2-CE1 3.79Å; L105-F118 HydrophobicContact CD2-CE2 3.89Å; L105-F118 HydrophobicContact CD2-CZ 3.26Å; L105-L206 HydrophobicContact CD1-CD1 3.67Å; L105-T209 HydrophobicContact CB-CG2 3.85Å; L105-T209 HydrophobicContact CD1-CG2 4.34Å
106P96.6Very high94Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-60.3-23.6177.9-25.135.9000115T102 L104 T209 Y216 I950 T954T102-P106 WeakPolarHBondContact O-CD 3.46Å; L104-P106 VanDerWaalsContact C-CD 3.41Å; P106-T209 HydrophobicContact CG-CG2 3.75Å; P106-Y216 WeakPolarHBondContact CA-OH 3.45Å; P106-Y216 WeakPolarHBondContact CB-OH 3.27Å; P106-Y216 WeakPolarHBondContact O-CE1 3.33Å; P106-Y216 PolarHBondContact O-OH 3.27Å; P106-I950 HydrophobicContact CG-CG2 3.74Å; P106-T954 HydrophobicContact CB-CG2 3.8Å
107Y96.1Very high93.9Very high3 Ų323.7 Ų23.71%0.01212%0.119CC..Hα-helixtrans-96.8-17.2176.4-58.7-78.3000112.6A52 I55 R56 R59 R103 L104 L105 Y952 T954A52-Y107 HydrophobicContact CB-CE1 3.7Å; A52-Y107 WeakPolarHBondContact CB-OH 3.42Å; I55-Y107 HydrophobicContact CB-CD2 4.21Å; I55-Y107 HydrophobicContact CB-CG 4.25Å; I55-Y107 HydrophobicContact CD1-CD2 3.46Å; I55-Y107 VanDerWaalsContact CD1-CD2 3.46Å; I55-Y107 HydrophobicContact CD1-CE2 3.66Å; I55-Y107 HydrophobicContact CD1-CG 4.32Å; I55-Y107 HydrophobicContact CG1-CD2 4.42Å; I55-Y107 HydrophobicContact CG2-CD2 4.06Å; I55-Y107 HydrophobicContact CG2-CG 4.08Å; R56-Y107 HydrophobicContact CG-CD1 4.48Å; R59-Y107 WeakPolarHBondContact CD-O 3.47Å; R59-Y107 PolarHBondContact NH1-O 3.39Å; R103-Y107 PolarHBondContact NH1-OH 3.12Å; R103-Y107 WeakPolarHBondContact O-CD2 3.27Å; L104-Y107 PolarHBondContact O-N 2.73Å; L105-Y107 PolarHBondContact O-N 3.4Å; L105-Y107 VanDerWaalsContact O-N 3.14Å; Y107-Y952 PolarHBondContact OH-O 3.33Å; Y107-T954 HydrophobicContact CD1-CG2 4.01Å; Y107-T954 HydrophobicContact CE1-CG2 3.61Å; Y107-T954 HydrophobicContact CE2-CG2 4.49Å
108I96Very high93.8Very high0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-74.7-45.1171.4-65170.6000109.6L66 L104 L105 E110 D111 W114 F118L66-I108 HydrophobicContact CD1-CD1 4.33Å; L66-I108 HydrophobicContact CD2-CD1 4.36Å; L66-I108 HydrophobicContact CD2-CG1 4.04Å; L66-I108 HydrophobicContact CG-CD1 4.33Å; L104-I108 HydrophobicContact CB-CD1 4.19Å; L104-I108 PolarHBondContact O-N 2.92Å; L105-I108 HydrophobicContact CD2-CD1 4.44Å; L105-I108 PolarHBondContact O-N 3.38Å; I108-E110 PolarHBondContact O-N 3.46Å; I108-D111 PolarHBondContact O-N 3.37Å; I108-D111 VanDerWaalsContact O-N 3.15Å; I108-W114 HydrophobicContact CG2-CB 3.57Å; I108-W114 HydrophobicContact CG2-CD2 3.81Å; I108-W114 HydrophobicContact CG2-CE3 3.66Å; I108-W114 HydrophobicContact CG2-CG 3.81Å; I108-F118 HydrophobicContact CD1-CZ 4.2Å; I108-F118 HydrophobicContact CG2-CE2 3.77Å; I108-F118 HydrophobicContact CG2-CZ 4.18Å
109F95.7Very high93.5Very high3 Ų325.7 Ų25.71%0.01313%0.126CC..THydrogen-bonded Turntrans-67.7-13.3-179.2-62.3-39.4000115.5L105 D111 F118 T209 E213 Y216 W229L105-F109 HydrophobicContact CB-CE2 4.05Å; L105-F109 HydrophobicContact CB-CZ 4.47Å; L105-F109 HydrophobicContact CD2-CZ 4.31Å; L105-F109 WeakPolarHBondContact O-CD2 3.43Å; L105-F109 PolarHBondContact O-N 3.09Å; F109-D111 PolarHBondContact O-N 3.16Å; F109-D111 VanDerWaalsContact O-N 3.15Å; F109-F118 HydrophobicContact CE1-CD2 4.17Å; F109-F118 HydrophobicContact CE1-CE2 4.03Å; F109-T209 WeakPolarHBondContact CE2-O 3.29Å; F109-E213 HydrophobicContact CD1-CB 4.17Å; F109-E213 HydrophobicContact CD1-CG 3.94Å; F109-E213 HydrophobicContact CD2-CB 4.24Å; F109-E213 HydrophobicContact CE1-CB 4.18Å; F109-E213 HydrophobicContact CE1-CG 4.21Å; F109-E213 HydrophobicContact CE2-CB 4.25Å; F109-E213 HydrophobicContact CG-CB 4.2Å; F109-E213 HydrophobicContact CG-CG 4.26Å; F109-E213 HydrophobicContact CZ-CB 4.22Å; F109-Y216 HydrophobicContact CB-CD1 4.49Å; F109-Y216 HydrophobicContact CB-CD2 3.48Å; F109-Y216 VanDerWaalsContact CB-CD2 3.48Å; F109-Y216 HydrophobicContact CB-CE2 3.82Å; F109-Y216 HydrophobicContact CB-CG 3.85Å; F109-Y216 HydrophobicContact CD2-CE2 4.38Å; F109-Y216 HydrophobicContact CG-CD2 4.44Å; F109-Y216 WeakPolarHBondContact O-CB 3.39Å; F109-W229 HydrophobicContact CE1-CZ2 4.12Å; F109-W229 AromaticContact CZ-CZ2 3.91Å; F109-W229 HydrophobicContact CZ-CZ2 3.91Å
110E94.7Very high93Very high6 Ų626.9 Ų26.93%0.02814%0.138CC..THydrogen-bonded Turntrans-58.3-24.1169.9-60.1-171.8151.100113.1R56 R59 I108 Y216 T954 N955 R957R56-E110 IonicContact CZ-OE1 3.83Å; R56-E110 IonicContact CZ-OE2 2.7Å; R56-E110 IonicContact NE-OE1 3.74Å; R56-E110 PolarHBondContact NE-OE1 3.04Å; R56-E110 IonicContact NE-OE2 3.04Å; R56-E110 PolarHBondContact NE-OE2 3.24Å; R56-E110 IonicContact NH2-OE1 3.89Å; R56-E110 PolarHBondContact NH2-OE1 2.77Å; R56-E110 IonicContact NH2-OE2 3.8Å; R59-E110 IonicContact NH1-OE2 2.76Å; R59-E110 PolarHBondContact NH1-OE2 2.6Å; I108-E110 PolarHBondContact O-N 3.46Å; E110-Y216 HydrophobicContact CB-CD1 4.47Å; E110-Y216 HydrophobicContact CG-CD1 4.11Å; E110-Y216 HydrophobicContact CG-CE1 3.81Å; E110-T954 WeakPolarHBondContact OE1-CA 3.3Å; E110-N955 HydrophobicContact CB-CB 4.35Å; E110-N955 HydrophobicContact CG-CB 4.03Å; E110-N955 PolarHBondContact OE1-N 3.25Å; E110-N955 PolarHBondContact OE1-ND2 3.4Å; E110-N955 VanDerWaalsContact OE1-ND2 3.16Å; E110-N955 PolarHBondContact OE2-ND2 3.32Å; E110-N955 VanDerWaalsContact OE2-ND2 3.08Å; E110-R957 PolarHBondContact O-NH2 3.02Å
111D93.6Very high91.7Very high35 Ų3530.8 Ų30.819%0.18716%0.163CC..SBendtrans-111.5121.1-167-152-48.8000110.8R59 I108 F109 E113 W114R59-D111 IonicContact CZ-OD2 3.27Å; R59-D111 VanDerWaalsContact CZ-OD2 3.25Å; R59-D111 IonicContact NE-OD2 2.89Å; R59-D111 PolarHBondContact NE-OD2 3.3Å; R59-D111 IonicContact NH2-OD2 2.75Å; R59-D111 PolarHBondContact NH2-OD2 2.9Å; I108-D111 PolarHBondContact O-N 3.37Å; I108-D111 VanDerWaalsContact O-N 3.15Å; F109-D111 PolarHBondContact O-N 3.16Å; F109-D111 VanDerWaalsContact O-N 3.15Å; D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 3.26Å; D111-E113 PolarHBondContact OD1-N 3.45Å; D111-W114 PolarHBondContact O-N 3.42Å
112T88.8Confident90Very high69 Ų6933.7 Ų33.742%0.42318%0.179SC..G310 helixtrans-73.2-22.2-171.352.10000112.9W114 R115T112-W114 VanDerWaalsContact C-N 3.3Å; T112-W114 PolarHBondContact O-N 3.4Å; T112-R115 PolarHBondContact O-N 2.98Å
113E88.6Confident87.9Confident158 Ų15839.9 Ų39.974%0.73822%0.219SC*.G310 helixtrans-69.4-30.2177.7-60.2-168.4170.700111.7D111 R115 S116D111-E113 VanDerWaalsContact C-N 3.27Å; D111-E113 PolarHBondContact O-N 3.26Å; D111-E113 PolarHBondContact OD1-N 3.45Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.83Å; E113-S116 PolarHBondContact O-OG 2.98Å; E113-S116 VanDerWaalsContact O-OG 3.11Å
114W90.6Very high85.9Confident26 Ų2642.7 Ų42.710%0.09824%0.237CC..G310 helixtrans-77.5-9.6179.9-76.280.4000114.5R59 P63 L66 A67 I108 D111 T112 S116 F117R59-W114 HydrophobicContact CG-CZ2 4.24Å; P63-W114 HydrophobicContact CB-CH2 4.48Å; P63-W114 HydrophobicContact CB-CZ2 3.77Å; P63-W114 WeakPolarHBondContact O-CH2 3.47Å; L66-W114 HydrophobicContact CB-CH2 3.86Å; L66-W114 HydrophobicContact CB-CZ2 4.34Å; L66-W114 HydrophobicContact CD2-CH2 3.95Å; L66-W114 HydrophobicContact CD2-CZ2 3.95Å; L66-W114 HydrophobicContact CG-CH2 3.9Å; L66-W114 HydrophobicContact CG-CZ2 4.39Å; L66-W114 HydrophobicContact CG-CZ3 4.41Å; A67-W114 HydrophobicContact CB-CH2 4.14Å; A67-W114 HydrophobicContact CB-CZ3 4.33Å; I108-W114 HydrophobicContact CG2-CB 3.57Å; I108-W114 HydrophobicContact CG2-CD2 3.81Å; I108-W114 HydrophobicContact CG2-CE3 3.66Å; I108-W114 HydrophobicContact CG2-CG 3.81Å; D111-W114 PolarHBondContact O-N 3.42Å; T112-W114 VanDerWaalsContact C-N 3.3Å; T112-W114 PolarHBondContact O-N 3.4Å; W114-S116 PolarHBondContact O-N 3.33Å; W114-F117 HydrophobicContact CE3-CB 4.05Å; W114-F117 AromaticContact CE3-CD1 3.77Å; W114-F117 HydrophobicContact CE3-CD1 3.77Å; W114-F117 HydrophobicContact CE3-CE1 4.4Å; W114-F117 AromaticContact CE3-CG 3.91Å; W114-F117 HydrophobicContact CE3-CG 3.91Å; W114-F117 AromaticContact CZ3-CD1 3.84Å; W114-F117 HydrophobicContact CZ3-CD1 3.84Å; W114-F117 HydrophobicContact CZ3-CD2 4.37Å; W114-F117 HydrophobicContact CZ3-CE1 4.04Å; W114-F117 HydrophobicContact CZ3-CG 4.01Å; W114-F117 HydrophobicContact CZ3-CZ 4.4Å; W114-F117 WeakPolarHBondContact O-CB 3.4Å; W114-F117 PolarHBondContact O-N 2.94Å
115R84Confident83.9Confident44 Ų4447.2 Ų47.217%0.16626%0.262CS..G310 helixtrans-63.6-24.9177.6-62.6-178.1-172.1168.5-4.5113.2T112 E113 E221T112-R115 PolarHBondContact O-N 2.98Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 2.83Å; R115-E221 IonicContact CZ-OE1 2.66Å; R115-E221 IonicContact CZ-OE2 3.49Å; R115-E221 VanDerWaalsContact NH1-CD 3.28Å; R115-E221 IonicContact NH1-OE1 3.8Å; R115-E221 PolarHBondContact NH1-OE1 3.16Å; R115-E221 IonicContact NH1-OE2 3.81Å; R115-E221 PolarHBondContact NH1-OE2 3.34Å; R115-E221 IonicContact NH2-OE1 3.62Å; R115-E221 IonicContact NH2-OE2 3.37Å; R115-E221 PolarHBondContact NH2-OE2 3.23Å
116S87.1Confident81.8Confident65 Ų6553.5 Ų53.546%0.45530%0.302SS..THydrogen-bonded Turntrans-77.7-37.517559.30000112.3E113 W114 F118 W119 S120E113-S116 PolarHBondContact O-OG 2.98Å; E113-S116 VanDerWaalsContact O-OG 3.11Å; W114-S116 PolarHBondContact O-N 3.33Å; S116-F118 PolarHBondContact O-N 3.33Å; S116-W119 CarbonylContact O-C 3.58Å; S116-W119 WeakPolarHBondContact O-CA 3.02Å; S116-W119 PolarHBondContact O-N 3.35Å; S116-S120 PolarHBondContact O-N 2.98Å; S116-S120 PolarHBondContact O-OG 3.36Å; S116-S120 VanDerWaalsContact O-OG 3.07Å
117F91.5Very high80Confident46 Ų4658.2 Ų58.220%0.20234%0.336CS..G310 helixtrans-47.1-53.1-171.3170.8-112.2000113.7A67 C70 W114 W119 L137A67-F117 HydrophobicContact CB-CE2 3.73Å; A67-F117 HydrophobicContact CB-CZ 3.96Å; C70-F117 HydrophobicContact CB-CE1 4.11Å; C70-F117 HydrophobicContact CB-CZ 4.29Å; W114-F117 HydrophobicContact CE3-CB 4.05Å; W114-F117 AromaticContact CE3-CD1 3.77Å; W114-F117 HydrophobicContact CE3-CD1 3.77Å; W114-F117 HydrophobicContact CE3-CE1 4.4Å; W114-F117 AromaticContact CE3-CG 3.91Å; W114-F117 HydrophobicContact CE3-CG 3.91Å; W114-F117 AromaticContact CZ3-CD1 3.84Å; W114-F117 HydrophobicContact CZ3-CD1 3.84Å; W114-F117 HydrophobicContact CZ3-CD2 4.37Å; W114-F117 HydrophobicContact CZ3-CE1 4.04Å; W114-F117 HydrophobicContact CZ3-CG 4.01Å; W114-F117 HydrophobicContact CZ3-CZ 4.4Å; W114-F117 WeakPolarHBondContact O-CB 3.4Å; W114-F117 PolarHBondContact O-N 2.94Å; F117-W119 VanDerWaalsContact C-N 3.29Å; F117-W119 PolarHBondContact O-N 3.25Å; F117-L137 HydrophobicContact CD1-CD2 4.48Å; F117-L137 HydrophobicContact CE1-CD2 3.7Å; F117-L137 HydrophobicContact CE2-CD2 4.35Å; F117-L137 HydrophobicContact CZ-CD2 3.62Å
118F93.1Very high78.1Confident1 Ų161.6 Ų61.60%0.00436%0.357CS..G310 helixtrans-71.8-21.6-178.7-59.5-76.2000113.9L105 I108 F109 S116 L137 A138 W229L105-F118 HydrophobicContact CD2-CE1 3.79Å; L105-F118 HydrophobicContact CD2-CE2 3.89Å; L105-F118 HydrophobicContact CD2-CZ 3.26Å; I108-F118 HydrophobicContact CD1-CZ 4.2Å; I108-F118 HydrophobicContact CG2-CE2 3.77Å; I108-F118 HydrophobicContact CG2-CZ 4.18Å; F109-F118 HydrophobicContact CE1-CD2 4.17Å; F109-F118 HydrophobicContact CE1-CE2 4.03Å; S116-F118 PolarHBondContact O-N 3.33Å; F118-L137 HydrophobicContact CD1-CD2 4.03Å; F118-L137 HydrophobicContact CD1-CG 4.4Å; F118-L137 HydrophobicContact CE1-CD2 4.4Å; F118-L137 PolarHBondContact O-N 3.19Å; F118-A138 HydrophobicContact CB-CB 4Å; F118-A138 VanDerWaalsContact O-CB 3.27Å; F118-A138 WeakPolarHBondContact O-CB 3.47Å; F118-A138 PolarHBondContact O-N 2.98Å; F118-W229 HydrophobicContact CB-CH2 3.71Å; F118-W229 HydrophobicContact CB-CZ2 3.7Å; F118-W229 AromaticContact CD1-CH2 3.95Å; F118-W229 HydrophobicContact CD1-CH2 3.95Å; F118-W229 HydrophobicContact CD1-CZ2 4.41Å; F118-W229 HydrophobicContact CD2-CH2 4.29Å; F118-W229 AromaticContact CD2-CZ2 3.93Å; F118-W229 HydrophobicContact CD2-CZ2 3.93Å; F118-W229 AromaticContact CG-CH2 3.73Å; F118-W229 HydrophobicContact CG-CH2 3.73Å; F118-W229 AromaticContact CG-CZ2 3.77Å; F118-W229 HydrophobicContact CG-CZ2 3.77Å
119W92.1Very high76.1Confident41 Ų4166 Ų6616%0.15539%0.387CS..G310 helixtrans-105.35.7-177-63.4103.9000113.4S116 F117 A138 Q139 R228 W229 F232S116-W119 CarbonylContact O-C 3.58Å; S116-W119 WeakPolarHBondContact O-CA 3.02Å; S116-W119 PolarHBondContact O-N 3.35Å; F117-W119 VanDerWaalsContact C-N 3.29Å; F117-W119 PolarHBondContact O-N 3.25Å; W119-A138 HydrophobicContact CD2-CB 3.78Å; W119-A138 HydrophobicContact CE3-CB 3.82Å; W119-A138 HydrophobicContact CH2-CB 3.56Å; W119-A138 HydrophobicContact CZ2-CB 3.5Å; W119-A138 VanDerWaalsContact CZ2-CB 3.5Å; W119-A138 HydrophobicContact CZ3-CB 3.72Å; W119-Q139 HydrophobicContact CZ3-CG 4.09Å; W119-R228 HydrophobicContact CD2-CB 4.08Å; W119-R228 VanDerWaalsContact CE2-CB 3.5Å; W119-R228 HydrophobicContact CE3-CB 4.4Å; W119-R228 HydrophobicContact CH2-CB 3.73Å; W119-R228 WeakPolarHBondContact CH2-O 3.22Å; W119-R228 HydrophobicContact CZ2-CB 3.33Å; W119-R228 HydrophobicContact CZ3-CB 4.24Å; W119-W229 HydrophobicContact CZ2-CB 4.36Å; W119-W229 AromaticContact CZ2-CD2 3.67Å; W119-W229 HydrophobicContact CZ2-CD2 3.67Å; W119-W229 AromaticContact CZ2-CE2 3.94Å; W119-W229 HydrophobicContact CZ2-CE3 4.14Å; W119-W229 AromaticContact CZ2-CG 3.75Å; W119-W229 HydrophobicContact CZ2-CG 3.75Å; W119-W229 AromaticContact NE1-CE2 3.84Å; W119-W229 AromaticContact NE1-NE1 3.64Å; W119-F232 HydrophobicContact CH2-CB 4.28Å
120S84.2Confident74Confident48 Ų4877.5 Ų77.534%0.33643%0.43SS..SBendtrans-92.4151.5176.4-74.60000111.8S116S116-S120 PolarHBondContact O-N 2.98Å; S116-S120 PolarHBondContact O-OG 3.36Å; S116-S120 VanDerWaalsContact O-OG 3.07Å
121P69.6Low72Confident82 Ų8286.2 Ų86.253%0.53247%0.471SS..PPolyproline II helixtrans-58.7138161.8-20.533.1000110.5F134P121-F134 HydrophobicContact CB-CB 4.06Å; P121-F134 HydrophobicContact CB-CD1 3.64Å; P121-F134 HydrophobicContact CB-CE1 4.35Å; P121-F134 HydrophobicContact CB-CG 4.11Å
122L60.7Low70.2Confident62 Ų6289.3 Ų89.333%0.32549%0.491SS..PPolyproline II helixtrans-66146.7170-74.1161.2000110.4Y71 V124Y71-L122 HydrophobicContact CD2-CD1 4.12Å; Y71-L122 HydrophobicContact CD2-CD2 3.89Å; Y71-L122 HydrophobicContact CE2-CD1 3.68Å; Y71-L122 HydrophobicContact CE2-CD2 4.16Å; L122-V124 PolarHBondContact O-N 2.98Å
123P54.2Low68.9Low131 Ų13194.3 Ų94.385%0.85151%0.51SS*.  trans-66.992.5173-17.932000110.8
124V54.4Low68.1Low75 Ų7592 Ų9246%0.45550%0.497SS..  trans-70.7135.2176.51670000110.2L122 V128 F134L122-V124 PolarHBondContact O-N 2.98Å; V124-V128 HydrophobicContact CG1-CB 3.77Å; V124-V128 HydrophobicContact CG1-CG1 4.28Å; V124-V128 HydrophobicContact CG1-CG2 4.31Å; V124-F134 HydrophobicContact CB-CE1 3.82Å; V124-F134 HydrophobicContact CB-CZ 4.18Å; V124-F134 HydrophobicContact CG2-CD1 4.03Å; V124-F134 HydrophobicContact CG2-CE1 3.38Å; V124-F134 HydrophobicContact CG2-CZ 4.06Å
125D53.2Low67.9Low96 Ų9694.3 Ų94.351%0.51351%0.514SS..  trans-56.9129.5174.4-174.4-58.9000110S127 V128D125-S127 PolarHBondContact O-N 2.75Å; D125-S127 VanDerWaalsContact OD1-CB 3.24Å; D125-S127 WeakPolarHBondContact OD1-CB 3.13Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.29Å; D125-V128 HydrophobicContact CB-CG2 4.45Å; D125-V128 PolarHBondContact O-N 3.47Å
126P53.9Low68.3Low132 Ų13293.1 Ų93.186%0.85751%0.512SS*.THydrogen-bonded Turntrans-64.5-4.8-175.427.5-36.3000114.9
127S58Low68.5Low100 Ų10090.2 Ų90.270%0.69949%0.492SS*.THydrogen-bonded Turntrans-78-17.4168.963.50000114.4D125D125-S127 PolarHBondContact O-N 2.75Å; D125-S127 VanDerWaalsContact OD1-CB 3.24Å; D125-S127 WeakPolarHBondContact OD1-CB 3.13Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.29Å
128V56.1Low68.7Low74 Ų7488 Ų8845%0.44848%0.482SS..SBendtrans-86134.4-178.7-1760000111.1V124 D125V124-V128 HydrophobicContact CG1-CB 3.77Å; V124-V128 HydrophobicContact CG1-CG1 4.28Å; V124-V128 HydrophobicContact CG1-CG2 4.31Å; D125-V128 HydrophobicContact CB-CG2 4.45Å; D125-V128 PolarHBondContact O-N 3.47Å
129S53.5Low68.8Low91 Ų9190.7 Ų90.764%0.63649%0.494SS*.  trans-59.6134.4-178.2-56.20000112.9E131S129-E131 PolarHBondContact O-N 2.62Å
130R52.2Low68.9Low246 Ų24690.6 Ų90.693%0.92850%0.5SS*.THydrogen-bonded Turntrans-6714.3-178.3-68-176.3174.2177.3-2.2116.1
131E52.5Low69.5Low188 Ų18888.3 Ų88.388%0.87948%0.484SS*.THydrogen-bonded Turntrans-94.9-8.1-177.6-62-172.215200113.1S129S129-E131 PolarHBondContact O-N 2.62Å
132V56.5Low70.8Confident100 Ų10084.4 Ų84.461%0.60646%0.458SS*.SBendtrans-80122.6173.2-173.50000109.8
133E61.9Low72.5Confident175 Ų17583.4 Ų83.482%0.81846%0.457SS*.  trans-70.8127.3175.8-170.6164-157.500110.5V135E133-V135 PolarHBondContact O-N 2.67Å; E133-V135 VanDerWaalsContact O-N 3.09Å
134F70.8Confident74.5Confident108 Ų10877.3 Ų77.347%0.47442%0.417SS..  trans-78.397.1-170.7-74.3-102.9000111.8P121 V124 P136P121-F134 HydrophobicContact CB-CB 4.06Å; P121-F134 HydrophobicContact CB-CD1 3.64Å; P121-F134 HydrophobicContact CB-CE1 4.35Å; P121-F134 HydrophobicContact CB-CG 4.11Å; V124-F134 HydrophobicContact CB-CE1 3.82Å; V124-F134 HydrophobicContact CB-CZ 4.18Å; V124-F134 HydrophobicContact CG2-CD1 4.03Å; V124-F134 HydrophobicContact CG2-CE1 3.38Å; V124-F134 HydrophobicContact CG2-CZ 4.06Å; F134-P136 WeakPolarHBondContact O-CD 3.48Å
135V86.4Confident76.6Confident75 Ų7573.7 Ų73.746%0.45540%0.396SS..  trans-73.5122.8172.4-174.40000110.3E133 Q139 S140E133-V135 PolarHBondContact O-N 2.67Å; E133-V135 VanDerWaalsContact O-N 3.09Å; V135-Q139 HydrophobicContact CG1-CB 3.79Å; V135-S140 WeakPolarHBondContact CG1-OG 3.32Å
136P91.9Very high78.7Confident19 Ų1969.2 Ų69.212%0.12337%0.372CS..  trans-68.7148.5174.4-19.132.6000112.6F134 A138 Q139 S140F134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-A138 PolarHBondContact O-N 3.38Å; P136-A138 VanDerWaalsContact O-N 3.09Å; P136-Q139 HydrophobicContact CG-CG 4.41Å; P136-Q139 WeakPolarHBondContact O-CA 3.37Å; P136-Q139 WeakPolarHBondContact O-CB 3.35Å; P136-Q139 PolarHBondContact O-N 2.91Å; P136-S140 PolarHBondContact O-N 3.46Å; P136-S140 VanDerWaalsContact O-N 3.15Å
137L92.8Very high80.6Confident5 Ų563.4 Ų63.43%0.02633%0.334CS..Hα-helixtrans-55.5-32.5-176.3-171.465.1000113.8Y71 I74 F117 F118 L141Y71-L137 HydrophobicContact CD2-CD1 4.23Å; I74-L137 HydrophobicContact CB-CD1 4.01Å; I74-L137 HydrophobicContact CD1-CD1 3.81Å; I74-L137 HydrophobicContact CD1-CD2 3.96Å; I74-L137 HydrophobicContact CD1-CG 3.67Å; I74-L137 HydrophobicContact CG2-CD1 3.76Å; F117-L137 HydrophobicContact CD1-CD2 4.48Å; F117-L137 HydrophobicContact CE1-CD2 3.7Å; F117-L137 HydrophobicContact CE2-CD2 4.35Å; F117-L137 HydrophobicContact CZ-CD2 3.62Å; F118-L137 HydrophobicContact CD1-CD2 4.03Å; F118-L137 HydrophobicContact CD1-CG 4.4Å; F118-L137 HydrophobicContact CE1-CD2 4.4Å; F118-L137 PolarHBondContact O-N 3.19Å; L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 PolarHBondContact O-N 2.83Å
138A94.9Very high82.5Confident0 Ų058.7 Ų58.70%030%0.3CS..Hα-helixtrans-63.1-39.6173.100000113.4F118 W119 P136 L142 W229F118-A138 HydrophobicContact CB-CB 4Å; F118-A138 VanDerWaalsContact O-CB 3.27Å; F118-A138 WeakPolarHBondContact O-CB 3.47Å; F118-A138 PolarHBondContact O-N 2.98Å; W119-A138 HydrophobicContact CD2-CB 3.78Å; W119-A138 HydrophobicContact CE3-CB 3.82Å; W119-A138 HydrophobicContact CH2-CB 3.56Å; W119-A138 HydrophobicContact CZ2-CB 3.5Å; W119-A138 VanDerWaalsContact CZ2-CB 3.5Å; W119-A138 HydrophobicContact CZ3-CB 3.72Å; P136-A138 PolarHBondContact O-N 3.38Å; P136-A138 VanDerWaalsContact O-N 3.09Å; A138-L142 WeakPolarHBondContact O-CB 3.48Å; A138-L142 PolarHBondContact O-N 2.89Å; A138-W229 HydrophobicContact CB-CD2 4.44Å; A138-W229 HydrophobicContact CB-CE3 3.9Å; A138-W229 HydrophobicContact CB-CH2 3.66Å; A138-W229 HydrophobicContact CB-CZ2 4.19Å; A138-W229 HydrophobicContact CB-CZ3 3.49Å; A138-W229 VanDerWaalsContact CB-CZ3 3.49Å
139Q94.7Very high84.4Confident56 Ų5655.2 Ų55.226%0.26228%0.279SS..Hα-helixtrans-73.1-44.9179.2-62.9-168.9-12.200110.2W119 V135 P136 L141 L142 S143 F232W119-Q139 HydrophobicContact CZ3-CG 4.09Å; V135-Q139 HydrophobicContact CG1-CB 3.79Å; P136-Q139 HydrophobicContact CG-CG 4.41Å; P136-Q139 WeakPolarHBondContact O-CA 3.37Å; P136-Q139 WeakPolarHBondContact O-CB 3.35Å; P136-Q139 PolarHBondContact O-N 2.91Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.41Å; Q139-L142 PolarHBondContact O-N 3.46Å; Q139-S143 WeakPolarHBondContact O-CB 3.15Å; Q139-S143 PolarHBondContact O-N 3.17Å; Q139-S143 PolarHBondContact O-OG 3.49Å; Q139-S143 VanDerWaalsContact O-OG 3.13Å; Q139-F232 HydrophobicContact CB-CD2 4.38Å; Q139-F232 HydrophobicContact CB-CE1 4.25Å; Q139-F232 HydrophobicContact CB-CE2 3.8Å; Q139-F232 HydrophobicContact CB-CZ 3.73Å; Q139-F232 VanDerWaalsContact CD-CE2 3.49Å; Q139-F232 HydrophobicContact CG-CD2 3.66Å; Q139-F232 HydrophobicContact CG-CE1 4.47Å; Q139-F232 HydrophobicContact CG-CE2 3.5Å; Q139-F232 HydrophobicContact CG-CG 4.21Å; Q139-F232 HydrophobicContact CG-CZ 3.94Å
140S94.1Very high86.4Confident39 Ų3950.9 Ų50.927%0.27325%0.249SC..Hα-helixtrans-55.8-45.2174.3-51.20000111.8V135 P136 A144V135-S140 WeakPolarHBondContact CG1-OG 3.32Å; P136-S140 PolarHBondContact O-N 3.46Å; P136-S140 VanDerWaalsContact O-N 3.15Å; S140-A144 VanDerWaalsContact O-CB 3.28Å; S140-A144 WeakPolarHBondContact O-CB 3.38Å; S140-A144 PolarHBondContact O-N 3.28Å; S140-A144 VanDerWaalsContact O-N 3.08Å
141L96.7Very high88.3Confident0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-64.1-50.7176.6179.256000112.3I74 I77 L101 L137 Q139 A144 L145 L206 W229I74-L141 HydrophobicContact CD1-CB 4.3Å; I74-L141 HydrophobicContact CD1-CD2 3.99Å; I74-L141 HydrophobicContact CG1-CB 4.42Å; I74-L141 HydrophobicContact CG1-CD1 4.13Å; I74-L141 HydrophobicContact CG1-CD2 4.26Å; I74-L141 HydrophobicContact CG2-CB 3.96Å; I74-L141 HydrophobicContact CG2-CD1 4.43Å; I77-L141 HydrophobicContact CD1-CD1 4.23Å; I77-L141 HydrophobicContact CG2-CD1 4.5Å; L101-L141 HydrophobicContact CD1-CD1 4.07Å; L101-L141 HydrophobicContact CD1-CD2 4.37Å; L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 PolarHBondContact O-N 2.83Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.41Å; L141-A144 PolarHBondContact O-N 2.94Å; L141-L145 HydrophobicContact CD1-CD1 3.63Å; L141-L145 HydrophobicContact CD1-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CG 3.86Å; L141-L145 HydrophobicContact CG-CD1 3.89Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.13Å; L141-L145 VanDerWaalsContact O-CG 3.23Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.05Å; L141-L206 HydrophobicContact CD1-CD2 4.37Å; L141-W229 HydrophobicContact CD2-CZ3 4.41Å
142L97.5Very high90.2Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-67-38.3-177.8-77.7-179.5000112.7A138 Q139 C146 I207 W229 F232 F233A138-L142 WeakPolarHBondContact O-CB 3.48Å; A138-L142 PolarHBondContact O-N 2.89Å; Q139-L142 PolarHBondContact O-N 3.46Å; L142-C146 WeakPolarHBondContact O-CB 3.36Å; L142-C146 PolarHBondContact O-N 3.44Å; L142-C146 PolarHBondContact O-SG 3.02Å; L142-I207 HydrophobicContact CD2-CG1 4.23Å; L142-I207 HydrophobicContact CD2-CG2 4.38Å; L142-W229 HydrophobicContact CD1-CB 4.13Å; L142-W229 HydrophobicContact CD1-CE3 3.84Å; L142-W229 WeakPolarHBondContact CD1-O 3.4Å; L142-W229 HydrophobicContact CG-CE3 3.99Å; L142-F232 HydrophobicContact CB-CD1 3.72Å; L142-F232 HydrophobicContact CB-CE1 3.74Å; L142-F232 HydrophobicContact CD1-CB 4.4Å; L142-F232 HydrophobicContact CD1-CD1 3.72Å; L142-F232 HydrophobicContact CG-CD1 4.39Å; L142-F233 HydrophobicContact CD1-CB 4.46Å
143S95.7Very high91.9Very high41 Ų4130.3 Ų30.329%0.28716%0.16SC..Hα-helixtrans-60-55.7173.7-670000110.8Q139 L145 C146 D147Q139-S143 WeakPolarHBondContact O-CB 3.15Å; Q139-S143 PolarHBondContact O-N 3.17Å; Q139-S143 PolarHBondContact O-OG 3.49Å; Q139-S143 VanDerWaalsContact O-OG 3.13Å; S143-L145 VanDerWaalsContact C-N 3.29Å; S143-L145 PolarHBondContact O-N 3.02Å; S143-C146 CarbonylContact O-C 3.58Å; S143-C146 WeakPolarHBondContact O-CA 3.48Å; S143-C146 WeakPolarHBondContact O-CB 3.37Å; S143-C146 PolarHBondContact O-N 3.37Å; S143-D147 PolarHBondContact O-N 2.96Å; S143-D147 VanDerWaalsContact O-OD2 3.06Å
144A96.3Very high93.4Very high3 Ų322 Ų223%0.02512%0.122CC..Hα-helixtrans-58.9-37.9-178.600000112.9I77 A78 S81 S140 L141 D147 L148I77-A144 HydrophobicContact CG2-CB 3.85Å; A78-A144 HydrophobicContact CB-CB 4.44Å; S81-A144 VanDerWaalsContact OG-CB 3.3Å; S81-A144 WeakPolarHBondContact OG-CB 3.15Å; S140-A144 VanDerWaalsContact O-CB 3.28Å; S140-A144 WeakPolarHBondContact O-CB 3.38Å; S140-A144 PolarHBondContact O-N 3.28Å; S140-A144 VanDerWaalsContact O-N 3.08Å; L141-A144 PolarHBondContact O-N 2.94Å; A144-D147 PolarHBondContact O-N 3.12Å; A144-L148 WeakPolarHBondContact O-CB 3.39Å; A144-L148 WeakPolarHBondContact O-CD1 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.14Å
145L98.2Very high94.6Very high0 Ų016.9 Ų16.90%010%0.099CC..Hα-helixtrans-69.1-31.2173.5-66.4174.2000112.9I77 I98 L141 S143 L149 I203 L206 I207I77-L145 HydrophobicContact CG2-CD2 4.13Å; I98-L145 HydrophobicContact CD1-CD2 4.06Å; I98-L145 HydrophobicContact CG1-CD2 4.02Å; L141-L145 HydrophobicContact CD1-CD1 3.63Å; L141-L145 HydrophobicContact CD1-CD2 4.39Å; L141-L145 HydrophobicContact CD1-CG 3.86Å; L141-L145 HydrophobicContact CG-CD1 3.89Å; L141-L145 HydrophobicContact CG-CG 4.47Å; L141-L145 WeakPolarHBondContact O-CB 3.13Å; L141-L145 VanDerWaalsContact O-CG 3.23Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.05Å; S143-L145 VanDerWaalsContact C-N 3.29Å; S143-L145 PolarHBondContact O-N 3.02Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.3Å; L145-I203 HydrophobicContact CB-CG2 3.92Å; L145-I203 HydrophobicContact CD2-CG2 4Å; L145-I203 HydrophobicContact CG-CG2 4.46Å; L145-I203 WeakPolarHBondContact O-CG2 3.33Å; L145-L206 HydrophobicContact CD1-CB 4.39Å; L145-L206 HydrophobicContact CD1-CD2 3.72Å; L145-L206 HydrophobicContact CD1-CG 3.83Å; L145-L206 HydrophobicContact CD2-CD2 4.01Å; L145-L206 HydrophobicContact CG-CD2 4.5Å; L145-I207 HydrophobicContact CB-CD1 4.14Å; L145-I207 HydrophobicContact CB-CG1 4.19Å; L145-I207 HydrophobicContact CD1-CG1 3.95Å
146C97.3Very high95Very high1 Ų113.5 Ų13.51%0.0078%0.079CC..Hα-helixtrans-74.8-38.6173.9-65.60000112L142 S143 L149 F150 H240 L244L142-C146 WeakPolarHBondContact O-CB 3.36Å; L142-C146 PolarHBondContact O-N 3.44Å; L142-C146 PolarHBondContact O-SG 3.02Å; S143-C146 CarbonylContact O-C 3.58Å; S143-C146 WeakPolarHBondContact O-CA 3.48Å; S143-C146 WeakPolarHBondContact O-CB 3.37Å; S143-C146 PolarHBondContact O-N 3.37Å; C146-L149 WeakPolarHBondContact O-CB 3.47Å; C146-L149 PolarHBondContact O-N 3.15Å; C146-F150 WeakPolarHBondContact O-CD2 3.32Å; C146-H240 HydrophobicContact CB-CB 4.19Å; C146-L244 HydrophobicContact CB-CD1 4.18Å
147D95.5Very high95Very high11 Ų1115.6 Ų15.66%0.0599%0.087CC..Hα-helixtrans-60.6-46.3171-67.9-53.9000110.7S143 A144 L149 F150 C151 M170 R239 H240S143-D147 PolarHBondContact O-N 2.96Å; S143-D147 VanDerWaalsContact O-OD2 3.06Å; A144-D147 PolarHBondContact O-N 3.12Å; D147-L149 PolarHBondContact O-N 2.72Å; D147-L149 VanDerWaalsContact O-N 3.16Å; D147-F150 CarbonylContact O-C 3.54Å; D147-F150 PolarHBondContact O-N 3.25Å; D147-F150 VanDerWaalsContact O-N 3.12Å; D147-C151 PolarHBondContact O-N 3.12Å; D147-M170 HydrophobicContact CB-CG 4.12Å; D147-R239 IonicContact OD1-CZ 3.41Å; D147-R239 VanDerWaalsContact OD1-CZ 3.3Å; D147-R239 IonicContact OD1-NE 3.62Å; D147-R239 PolarHBondContact OD1-NE 3.36Å; D147-R239 VanDerWaalsContact OD1-NE 3.09Å; D147-R239 IonicContact OD1-NH2 3.46Å; D147-R239 PolarHBondContact OD1-NH2 3.11Å; D147-H240 IonicContact OD1-CD2 3.25Å; D147-H240 IonicContact OD1-CE1 2.67Å; D147-H240 IonicContact OD1-NE2 2.94Å; D147-H240 PolarHBondContact OD1-NE2 2.78Å
148L96.5Very high94.7Very high1 Ų118.1 Ų18.11%0.00511%0.105CC..Hα-helixtrans-62.8-19.3175.5-73.2166.5000114.2I77 V94 A144 F150 C151 F154 T155 I203I77-L148 HydrophobicContact CG2-CD1 3.81Å; V94-L148 HydrophobicContact CG1-CD1 3.74Å; V94-L148 HydrophobicContact CG1-CD2 4.41Å; V94-L148 HydrophobicContact CG2-CD1 4.34Å; A144-L148 WeakPolarHBondContact O-CB 3.39Å; A144-L148 WeakPolarHBondContact O-CD1 3.31Å; A144-L148 WeakPolarHBondContact O-CG 3.4Å; A144-L148 PolarHBondContact O-N 3.14Å; L148-F150 VanDerWaalsContact C-N 3.34Å; L148-C151 HydrophobicContact CD2-CB 4.47Å; L148-F154 HydrophobicContact CB-CE1 4.3Å; L148-F154 HydrophobicContact CD2-CD1 3.98Å; L148-F154 HydrophobicContact CD2-CE1 3.88Å; L148-T155 WeakPolarHBondContact O-CB 3.42Å; L148-T155 WeakPolarHBondContact O-CG2 3.35Å; L148-T155 PolarHBondContact O-OG1 3.19Å; L148-I203 HydrophobicContact CB-CD1 4.08Å
149L96.8Very high94.1Very high0 Ų021.5 Ų21.50%012%0.122CC..THydrogen-bonded Turntrans-80.6-10.1176.4-83.5173.6000114.6L145 C146 D147 T155 W180 R200 I203 L204 I207 L244L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.3Å; C146-L149 WeakPolarHBondContact O-CB 3.47Å; C146-L149 PolarHBondContact O-N 3.15Å; D147-L149 PolarHBondContact O-N 2.72Å; D147-L149 VanDerWaalsContact O-N 3.16Å; L149-T155 VanDerWaalsContact C-OG1 3.24Å; L149-T155 PolarHBondContact O-OG1 3.19Å; L149-W180 HydrophobicContact CB-CZ2 4.07Å; L149-W180 HydrophobicContact CD1-CH2 4.49Å; L149-W180 HydrophobicContact CD1-CZ2 4.37Å; L149-W180 HydrophobicContact CD2-CH2 4.05Å; L149-W180 HydrophobicContact CD2-CZ2 3.78Å; L149-W180 HydrophobicContact CG-CZ2 4.28Å; L149-W180 PolarHBondContact O-NE1 3.08Å; L149-R200 HydrophobicContact CD2-CB 4.14Å; L149-R200 HydrophobicContact CD2-CG 4.07Å; L149-I203 HydrophobicContact CD1-CG2 3.98Å; L149-I203 HydrophobicContact CD2-CB 4Å; L149-I203 HydrophobicContact CD2-CD1 4.03Å; L149-I203 HydrophobicContact CD2-CG2 3.9Å; L149-I203 HydrophobicContact CG-CB 4.31Å; L149-I203 HydrophobicContact CG-CD1 4.34Å; L149-I203 HydrophobicContact CG-CG2 3.66Å; L149-L204 HydrophobicContact CD1-CD2 3.83Å; L149-L204 HydrophobicContact CD1-CG 4.39Å; L149-L204 HydrophobicContact CD2-CG 4.24Å; L149-I207 HydrophobicContact CD1-CD1 3.78Å; L149-L244 HydrophobicContact CB-CD2 4.31Å; L149-L244 HydrophobicContact CD1-CD2 3.69Å
150F94.7Very high93Very high1 Ų124.7 Ų24.70%0.00415%0.148CC..SBendtrans-126.118.8171-57-82.2000112.3C146 D147 L148 P152 V156 S175 W180 H240 P243 L244C146-F150 WeakPolarHBondContact O-CD2 3.32Å; D147-F150 CarbonylContact O-C 3.54Å; D147-F150 PolarHBondContact O-N 3.25Å; D147-F150 VanDerWaalsContact O-N 3.12Å; L148-F150 VanDerWaalsContact C-N 3.34Å; F150-P152 WeakPolarHBondContact O-CD 3.42Å; F150-V156 HydrophobicContact CD1-CG1 4.47Å; F150-V156 VanDerWaalsContact O-CG2 3.23Å; F150-V156 WeakPolarHBondContact O-CG2 3.47Å; F150-S175 WeakPolarHBondContact CB-OG 3.19Å; F150-S175 WeakPolarHBondContact CG-OG 3.43Å; F150-W180 AromaticContact CD1-NE1 3.9Å; F150-W180 AromaticContact CE1-NE1 3.52Å; F150-W180 HydrophobicContact CZ-CZ2 4.36Å; F150-H240 HydrophobicContact CD2-CB 4.35Å; F150-H240 AromaticContact CD2-ND1 3.61Å; F150-H240 HydrophobicContact CE2-CB 3.98Å; F150-P243 HydrophobicContact CE1-CB 4.01Å; F150-P243 HydrophobicContact CZ-CB 3.89Å; F150-P243 HydrophobicContact CZ-CG 4.32Å; F150-L244 HydrophobicContact CE2-CD2 3.6Å; F150-L244 HydrophobicContact CE2-CG 3.74Å; F150-L244 HydrophobicContact CZ-CD2 3.85Å; F150-L244 HydrophobicContact CZ-CG 4.02Å
151C93.6Very high91.6Very high0 Ų027.6 Ų27.60%016%0.155CC..  trans-71.8118.7178.9177.10000111.1P86 D147 L148 F154 T155 V156 M170P86-C151 WeakPolarHBondContact CD-SG 3.26Å; P86-C151 WeakPolarHBondContact CG-SG 3.3Å; D147-C151 PolarHBondContact O-N 3.12Å; L148-C151 HydrophobicContact CD2-CB 4.47Å; C151-F154 HydrophobicContact CB-CB 4.3Å; C151-F154 HydrophobicContact CB-CD1 4.22Å; C151-F154 PolarHBondContact O-N 3.47Å; C151-T155 PolarHBondContact N-OG1 3.44Å; C151-T155 PolarHBondContact O-N 3.31Å; C151-T155 PolarHBondContact O-OG1 3.31Å; C151-V156 PolarHBondContact O-N 2.93Å; C151-M170 HydrophobicContact CB-CE 3.76Å
152P91.5Very high89.3Confident11 Ų1134.1 Ų34.17%0.07120%0.201CC..BIsolated β-bridgetrans-59.6141180-23.534.5000113.3F150 F154 V156 S158 I173F150-P152 WeakPolarHBondContact O-CD 3.42Å; P152-F154 PolarHBondContact O-N 2.9Å; P152-V156 CarbonylContact C-O 3.55Å; P152-S158 VanDerWaalsContact CB-OG 3.27Å; P152-S158 WeakPolarHBondContact CB-OG 3.37Å; P152-I173 HydrophobicContact CG-CD1 3.89Å
153D91.3Very high87.4Confident90 Ų9036.5 Ų36.548%0.48123%0.225SC..THydrogen-bonded Turntrans52.718.4-177.8-53.6-35.2000115.5Q91 V156 S158Q91-D153 PolarHBondContact NE2-O 3.44Å; D153-V156 WeakPolarHBondContact CA-O 3.5Å; D153-V156 PolarHBondContact N-O 2.71Å; D153-S158 PolarHBondContact OD1-N 2.94Å; D153-S158 PolarHBondContact OD1-OG 3.44Å; D153-S158 WeakPolarHBondContact OD2-CB 3.5Å; D153-S158 PolarHBondContact OD2-OG 3.14Å
154F94.9Very high85.4Confident2 Ų240.4 Ų40.41%0.00925%0.25CS..THydrogen-bonded Turntrans-119.6-47.9165.7178.3-127000112P86 Q91 V94 L95 L148 C151 P152 H196 N199 I203P86-F154 HydrophobicContact CG-CB 4.11Å; Q91-F154 HydrophobicContact CB-CD2 3.78Å; Q91-F154 HydrophobicContact CB-CE2 3.85Å; Q91-F154 HydrophobicContact CG-CB 4.27Å; Q91-F154 HydrophobicContact CG-CD2 3.5Å; Q91-F154 HydrophobicContact CG-CE2 4.1Å; Q91-F154 HydrophobicContact CG-CG 4.07Å; V94-F154 HydrophobicContact CG1-CE1 4.15Å; V94-F154 HydrophobicContact CG1-CZ 3.97Å; L95-F154 HydrophobicContact CD1-CE2 4.21Å; L95-F154 HydrophobicContact CD2-CE2 4.45Å; L95-F154 HydrophobicContact CD2-CZ 4.21Å; L95-F154 HydrophobicContact CG-CE2 4.17Å; L95-F154 HydrophobicContact CG-CZ 4.18Å; L148-F154 HydrophobicContact CB-CE1 4.3Å; L148-F154 HydrophobicContact CD2-CD1 3.98Å; L148-F154 HydrophobicContact CD2-CE1 3.88Å; C151-F154 HydrophobicContact CB-CB 4.3Å; C151-F154 HydrophobicContact CB-CD1 4.22Å; C151-F154 PolarHBondContact O-N 3.47Å; P152-F154 PolarHBondContact O-N 2.9Å; F154-H196 PolarHBondContact O-CD2 3.01Å; F154-N199 HydrophobicContact CD2-CB 4.44Å; F154-N199 VanDerWaalsContact CD2-ND2 3.29Å; F154-N199 WeakPolarHBondContact CD2-ND2 3.45Å; F154-N199 HydrophobicContact CE2-CB 4.03Å; F154-N199 VanDerWaalsContact CE2-ND2 3.32Å; F154-N199 WeakPolarHBondContact CE2-ND2 3.43Å; F154-N199 HydrophobicContact CZ-CB 4.18Å; F154-N199 PolarHBondContact O-ND2 3.18Å; F154-I203 HydrophobicContact CE1-CD1 3.99Å
155T95.6Very high83.4Confident0 Ų050 Ų500%029%0.294CS..THydrogen-bonded Turntrans-128.9-12.6178.153.70000114.4L148 L149 C151 N199 R200 I203L148-T155 WeakPolarHBondContact O-CB 3.42Å; L148-T155 WeakPolarHBondContact O-CG2 3.35Å; L148-T155 PolarHBondContact O-OG1 3.19Å; L149-T155 VanDerWaalsContact C-OG1 3.24Å; L149-T155 PolarHBondContact O-OG1 3.19Å; C151-T155 PolarHBondContact N-OG1 3.44Å; C151-T155 PolarHBondContact O-N 3.31Å; C151-T155 PolarHBondContact O-OG1 3.31Å; T155-N199 HydrophobicContact CG2-CB 3.88Å; T155-R200 HydrophobicContact CG2-CG 4.18Å; T155-R200 PolarHBondContact O-NE 3.29Å; T155-R200 PolarHBondContact O-NH2 2.68Å; T155-I203 HydrophobicContact CG2-CD1 3.7Å
156V94.1Very high81.3Confident4 Ų454 Ų542%0.02432%0.323CS..BIsolated β-bridgetrans-138.4161.3173.4-61.60000109.3F150 C151 P152 D153 Y178 H196F150-V156 HydrophobicContact CD1-CG1 4.47Å; F150-V156 VanDerWaalsContact O-CG2 3.23Å; F150-V156 WeakPolarHBondContact O-CG2 3.47Å; C151-V156 PolarHBondContact O-N 2.93Å; P152-V156 CarbonylContact C-O 3.55Å; D153-V156 WeakPolarHBondContact CA-O 3.5Å; D153-V156 PolarHBondContact N-O 2.71Å; V156-Y178 HydrophobicContact CB-CD1 3.83Å; V156-Y178 HydrophobicContact CG2-CD1 3.37Å; V156-Y178 HydrophobicContact CG2-CE1 3.99Å; V156-Y178 HydrophobicContact CG2-CG 4.03Å; V156-H196 VanDerWaalsContact C-CE1 3.43Å; V156-H196 PolarHBondContact O-CE1 2.85Å; V156-H196 VanDerWaalsContact O-CE1 3.25Å
157H91.4Very high79.3Confident63 Ų6359.5 Ų59.529%0.29236%0.358SS..PPolyproline II helixtrans-84.2134.8178.2-64.3102.2000110I159 Y178 A191 N193 H196H157-I159 PolarHBondContact O-N 2.98Å; H157-Y178 WeakPolarHBondContact O-CE1 3.2Å; H157-A191 PolarHBondContact CE1-O 2.98Å; H157-A191 PolarHBondContact ND1-O 2.85Å; H157-N193 VanDerWaalsContact CE1-CB 3.45Å; H157-N193 WeakPolarHBondContact CE1-CB 3.41Å; H157-N193 WeakPolarHBondContact NE2-CB 3.25Å; H157-N193 PolarHBondContact NE2-ND2 2.87Å; H157-N193 VanDerWaalsContact NE2-ND2 3.12Å; H157-H196 AromaticContact CD2-CE1 3.46Å; H157-H196 PolarHBondContact CD2-CE1 3.41Å; H157-H196 VanDerWaalsContact CD2-CE1 3.46Å; H157-H196 AromaticContact CD2-ND1 3.97Å; H157-H196 AromaticContact CE1-CE1 3.94Å; H157-H196 AromaticContact CE1-ND1 3.68Å; H157-H196 AromaticContact CG-CE1 3.85Å; H157-H196 AromaticContact ND1-ND1 3.94Å; H157-H196 AromaticContact NE2-CE1 3.52Å; H157-H196 AromaticContact NE2-ND1 3.68Å
158S87.6Confident77.6Confident57 Ų5762.5 Ų62.540%0.39937%0.372SS..PPolyproline II helixtrans-55.3130.4172.6-72.30000112.2P152 D153P152-S158 VanDerWaalsContact CB-OG 3.27Å; P152-S158 WeakPolarHBondContact CB-OG 3.37Å; D153-S158 PolarHBondContact OD1-N 2.94Å; D153-S158 PolarHBondContact OD1-OG 3.44Å; D153-S158 WeakPolarHBondContact OD2-CB 3.5Å; D153-S158 PolarHBondContact OD2-OG 3.14Å
159I82.7Confident76.1Confident71 Ų7167.8 Ų67.836%0.36440%0.4SS..PPolyproline II helixtrans-86120.7173.6-62.9173.8000108.4H157 K161 E177 Y178H157-I159 PolarHBondContact O-N 2.98Å; I159-K161 PolarHBondContact O-N 2.8Å; I159-E177 HydrophobicContact CD1-CB 3.81Å; I159-Y178 HydrophobicContact CB-CE1 4.47Å; I159-Y178 HydrophobicContact CD1-CD1 4.21Å; I159-Y178 HydrophobicContact CD1-CD2 4.41Å; I159-Y178 HydrophobicContact CD1-CE1 3.75Å; I159-Y178 HydrophobicContact CD1-CE2 3.92Å; I159-Y178 HydrophobicContact CG1-CD1 4.42Å; I159-Y178 HydrophobicContact CG1-CE1 3.68Å
160P71.8Confident74.8Confident123 Ų12367.9 Ų67.980%0.79940%0.401SS*.  trans-71.798.2-177.728.2-34.3000111.2
161K64.8Low73.8Confident100 Ų10073.8 Ų73.844%0.43543%0.428SS..  trans-77.4137.5177.1-74.6173173.1173.50111.6I159 G163 E168I159-K161 PolarHBondContact O-N 2.8Å; K161-G163 VanDerWaalsContact C-N 3.34Å; K161-G163 PolarHBondContact O-N 3.18Å; K161-E168 VanDerWaalsContact CD-OE1 3.23Å; K161-E168 WeakPolarHBondContact CD-OE1 3.41Å; K161-E168 IonicContact NZ-OE1 2.68Å; K161-E168 PolarHBondContact NZ-OE1 2.77Å; K161-E168 IonicContact NZ-OE2 3.3Å; K161-E168 PolarHBondContact NZ-OE2 2.87Å
162S46.7Very low72.9Confident137 Ų13778.1 Ų78.196%0.95845%0.454SS*.SBendtrans-81.373.5-179.9-620000111.9
163G58.8Low72.2Confident50 Ų5078 Ų7852%0.51545%0.453SS..SBendtrans-159174.8-18000000113.3K161K161-G163 VanDerWaalsContact C-N 3.34Å; K161-G163 PolarHBondContact O-N 3.18Å
164P52.9Low72Confident124 Ų12475.6 Ų75.681%0.80544%0.44SS*.  trans-67.3141.8170.530.1-34000110.7S166P164-S166 VanDerWaalsContact C-N 3.33Å; P164-S166 PolarHBondContact O-N 3.07Å
165E54.8Low71.8Confident203 Ų20375.7 Ų75.795%0.94944%0.441SS*.  trans-71.378.4-176.6-63.9174172.400112.4
166S54.2Low71.6Confident86 Ų8677.6 Ų77.660%0.60145%0.454SS*.PPolyproline II helixtrans-82132.6153.154.10000108.9P164 E168P164-S166 VanDerWaalsContact C-N 3.33Å; P164-S166 PolarHBondContact O-N 3.07Å; S166-E168 PolarHBondContact O-N 2.6Å
167P56.2Low71.4Confident115 Ų11581.9 Ų81.975%0.74747%0.474SS*.PPolyproline II helixtrans-59.9122.6167.926.9-33000108.4
168E59Low71.4Confident74 Ų7479.6 Ų79.635%0.34646%0.463SS..PPolyproline II helixtrans-76.2138.3176.7-59.9-168.413100109.5A84 K161 S166A84-E168 WeakPolarHBondContact CB-O 3.43Å; K161-E168 VanDerWaalsContact CD-OE1 3.23Å; K161-E168 WeakPolarHBondContact CD-OE1 3.41Å; K161-E168 IonicContact NZ-OE1 2.68Å; K161-E168 PolarHBondContact NZ-OE1 2.77Å; K161-E168 IonicContact NZ-OE2 3.3Å; K161-E168 PolarHBondContact NZ-OE2 2.87Å; S166-E168 PolarHBondContact O-N 2.6Å
169D65.7Low71.8Confident113 Ų11377.4 Ų77.460%0.60445%0.446SS*.PPolyproline II helixtrans-70.2137.8172.3-66.4-47.7000109.6H171 T172D169-H171 PolarHBondContact O-N 3.04Å; D169-T172 HydrophobicContact CB-CG2 4.2Å; D169-T172 WeakPolarHBondContact O-CB 3.44Å; D169-T172 PolarHBondContact O-N 3.23Å; D169-T172 PolarHBondContact O-OG1 3.24Å
170M68.9Low72.5Confident2 Ų274.1 Ų74.11%0.0143%0.429CS..G310 helixtrans-51.3-35.2178.6-17767.177.700112.2S81 S83 D147 C151 T172 I173 R239S81-M170 VanDerWaalsContact O-CE 3.3Å; S81-M170 WeakPolarHBondContact O-CE 3.44Å; S81-M170 VanDerWaalsContact O-CG 3.3Å; S81-M170 WeakPolarHBondContact O-CG 3.45Å; S83-M170 WeakPolarHBondContact O-CE 3.46Å; D147-M170 HydrophobicContact CB-CG 4.12Å; C151-M170 HydrophobicContact CB-CE 3.76Å; M170-T172 PolarHBondContact O-N 3.17Å; M170-I173 PolarHBondContact O-N 3.02Å; M170-I173 HydrophobicContact SD-CD1 3.91Å; M170-R239 PolarHBondContact O-NH1 3.49Å; M170-R239 PolarHBondContact O-NH2 2.94Å
171H72.8Confident73.6Confident125 Ų12569.8 Ų69.858%0.57940%0.399SS*.G310 helixtrans-67.1-14.3178.6-61.5-50.6000114.8D169 R239D169-H171 PolarHBondContact O-N 3.04Å; H171-R239 PolarHBondContact O-NH1 3.4Å
172T75.8Confident75.1Confident90 Ų9066.6 Ų66.655%0.55239%0.389SS*.G310 helixtrans-92.3-13.9177.465.50000114.2D169 M170 D174D169-T172 HydrophobicContact CB-CG2 4.2Å; D169-T172 WeakPolarHBondContact O-CB 3.44Å; D169-T172 PolarHBondContact O-N 3.23Å; D169-T172 PolarHBondContact O-OG1 3.24Å; M170-T172 PolarHBondContact O-N 3.17Å; T172-D174 PolarHBondContact O-N 2.97Å
173I77.5Confident77.4Confident8 Ų861.2 Ų61.24%0.04136%0.355CS..  trans-69124.9-180-63.8178.9000110.6A84 P152 M170 S175 Y178 R239A84-I173 HydrophobicContact CB-CD1 4.32Å; P152-I173 HydrophobicContact CG-CD1 3.89Å; M170-I173 PolarHBondContact O-N 3.02Å; M170-I173 HydrophobicContact SD-CD1 3.91Å; I173-S175 PolarHBondContact O-N 3.05Å; I173-Y178 HydrophobicContact CG2-CD2 3.81Å; I173-Y178 HydrophobicContact CG2-CE2 3.63Å; I173-R239 PolarHBondContact O-NH1 3.14Å
174D86Confident79.2Confident40 Ų4059.3 Ų59.321%0.21433%0.334CS..  trans-81102.8163.3-176.67.7000109.9T172 C176 E177 Y178 T327T172-D174 PolarHBondContact O-N 2.97Å; D174-C176 PolarHBondContact O-N 2.99Å; D174-C176 VanDerWaalsContact O-N 3.08Å; D174-C176 WeakPolarHBondContact OD1-CB 3.35Å; D174-C176 PolarHBondContact OD1-N 3.19Å; D174-C176 PolarHBondContact OD1-SG 3.22Å; D174-E177 PolarHBondContact O-N 2.86Å; D174-E177 VanDerWaalsContact O-N 3.09Å; D174-Y178 WeakPolarHBondContact O-CD2 3.38Å; D174-T327 HydrophobicContact CB-CG2 3.73Å; D174-T327 WeakPolarHBondContact OD2-CG2 3.08Å
175S89.9Confident80.9Confident5 Ų555.5 Ų55.54%0.03532%0.316CS..THydrogen-bonded Turntrans-66.2-8.5179.5-63.50000113.7F150 I173 E177 Y178 H240 P243F150-S175 WeakPolarHBondContact CB-OG 3.19Å; F150-S175 WeakPolarHBondContact CG-OG 3.43Å; I173-S175 PolarHBondContact O-N 3.05Å; S175-E177 VanDerWaalsContact C-N 3.3Å; S175-Y178 PolarHBondContact O-N 2.84Å; S175-H240 WeakPolarHBondContact CB-ND1 3.23Å; S175-H240 PolarHBondContact OG-CE1 2.91Å; S175-H240 PolarHBondContact OG-ND1 2.82Å; S175-P243 VanDerWaalsContact O-CB 3.26Å; S175-P243 WeakPolarHBondContact O-CB 3.42Å
176C91.3Very high82.6Confident40 Ų4047 Ų4727%0.2728%0.277SS..THydrogen-bonded Turntrans-66.8-28.8169.7-55.50000112.7D174 Y178 F186D174-C176 PolarHBondContact O-N 2.99Å; D174-C176 VanDerWaalsContact O-N 3.08Å; D174-C176 WeakPolarHBondContact OD1-CB 3.35Å; D174-C176 PolarHBondContact OD1-N 3.19Å; D174-C176 PolarHBondContact OD1-SG 3.22Å; C176-Y178 PolarHBondContact O-N 2.97Å; C176-F186 WeakPolarHBondContact O-CE2 3.47Å
177E90.5Very high84.2Confident94 Ų9447.9 Ų47.944%0.43929%0.289SS..THydrogen-bonded Turntrans-68.4-22.5172.9-59.3-168.4132.700112.2I159 D174 S175I159-E177 HydrophobicContact CD1-CB 3.81Å; D174-E177 PolarHBondContact O-N 2.86Å; D174-E177 VanDerWaalsContact O-N 3.09Å; S175-E177 VanDerWaalsContact C-N 3.3Å
178Y92.7Very high85.6Confident14 Ų1449.3 Ų49.36%0.05529%0.285CS..THydrogen-bonded Turntrans-107.416.4-167.9-67.7-86.8000114.1V156 H157 I159 I173 D174 S175 C176 W180V156-Y178 HydrophobicContact CB-CD1 3.83Å; V156-Y178 HydrophobicContact CG2-CD1 3.37Å; V156-Y178 HydrophobicContact CG2-CE1 3.99Å; V156-Y178 HydrophobicContact CG2-CG 4.03Å; H157-Y178 WeakPolarHBondContact O-CE1 3.2Å; I159-Y178 HydrophobicContact CB-CE1 4.47Å; I159-Y178 HydrophobicContact CD1-CD1 4.21Å; I159-Y178 HydrophobicContact CD1-CD2 4.41Å; I159-Y178 HydrophobicContact CD1-CE1 3.75Å; I159-Y178 HydrophobicContact CD1-CE2 3.92Å; I159-Y178 HydrophobicContact CG1-CD1 4.42Å; I159-Y178 HydrophobicContact CG1-CE1 3.68Å; I173-Y178 HydrophobicContact CG2-CD2 3.81Å; I173-Y178 HydrophobicContact CG2-CE2 3.63Å; D174-Y178 WeakPolarHBondContact O-CD2 3.38Å; S175-Y178 PolarHBondContact O-N 2.84Å; C176-Y178 PolarHBondContact O-N 2.97Å; Y178-W180 PolarHBondContact O-N 2.95Å
179I95.4Very high86.7Confident11 Ų1149.3 Ų49.36%0.05630%0.298CS..  trans-56.9124.8178.6-72.3168000110.6Q181 F186 P190 P243 A246 S247I179-Q181 PolarHBondContact O-N 2.67Å; I179-F186 HydrophobicContact CB-CB 4.4Å; I179-F186 HydrophobicContact CB-CD1 3.73Å; I179-F186 HydrophobicContact CB-CD2 4.03Å; I179-F186 HydrophobicContact CB-CE1 3.87Å; I179-F186 HydrophobicContact CB-CE2 4.17Å; I179-F186 HydrophobicContact CB-CG 3.8Å; I179-F186 HydrophobicContact CB-CZ 4.09Å; I179-F186 HydrophobicContact CD1-CB 4.11Å; I179-F186 HydrophobicContact CD1-CD2 3.8Å; I179-F186 HydrophobicContact CD1-CE2 4.41Å; I179-F186 HydrophobicContact CD1-CG 4.02Å; I179-F186 HydrophobicContact CG1-CD2 4.41Å; I179-F186 HydrophobicContact CG1-CG 4.5Å; I179-F186 HydrophobicContact CG2-CB 3.96Å; I179-F186 HydrophobicContact CG2-CD1 3.65Å; I179-F186 HydrophobicContact CG2-CD2 4.49Å; I179-F186 HydrophobicContact CG2-CE1 4.22Å; I179-F186 HydrophobicContact CG2-CG 3.79Å; I179-F186 WeakPolarHBondContact O-CE1 3.47Å; I179-P190 WeakPolarHBondContact O-CG 3.37Å; I179-P243 HydrophobicContact CD1-CB 4.36Å; I179-P243 HydrophobicContact CG1-CB 3.86Å; I179-A246 HydrophobicContact CD1-CB 3.82Å; I179-A246 HydrophobicContact CG1-CB 4.3Å; I179-A246 HydrophobicContact CG2-CB 4.24Å; I179-S247 WeakPolarHBondContact CA-OG 3.5Å
180W95.9Very high87.8Confident2 Ų246 Ų461%0.00828%0.283CS..SBendtrans-68.3-11.3-161.1-48-25.9000116L149 F150 Y178 R200 L204 L244 S247 L248 L276L149-W180 HydrophobicContact CB-CZ2 4.07Å; L149-W180 HydrophobicContact CD1-CH2 4.49Å; L149-W180 HydrophobicContact CD1-CZ2 4.37Å; L149-W180 HydrophobicContact CD2-CH2 4.05Å; L149-W180 HydrophobicContact CD2-CZ2 3.78Å; L149-W180 HydrophobicContact CG-CZ2 4.28Å; L149-W180 PolarHBondContact O-NE1 3.08Å; F150-W180 AromaticContact CD1-NE1 3.9Å; F150-W180 AromaticContact CE1-NE1 3.52Å; F150-W180 HydrophobicContact CZ-CZ2 4.36Å; Y178-W180 PolarHBondContact O-N 2.95Å; W180-R200 HydrophobicContact CZ2-CG 4.5Å; W180-L204 HydrophobicContact CH2-CD1 3.94Å; W180-L204 HydrophobicContact CH2-CD2 4.41Å; W180-L204 HydrophobicContact CZ3-CD1 4.01Å; W180-L244 HydrophobicContact CZ2-CD2 4.32Å; W180-S247 VanDerWaalsContact CD2-CB 3.47Å; W180-S247 PolarHBondContact N-OG 2.71Å; W180-S247 VanDerWaalsContact N-OG 3.11Å; W180-L248 HydrophobicContact CH2-CD2 4.21Å; W180-L248 HydrophobicContact CZ3-CD2 4.04Å; W180-L276 HydrophobicContact CZ3-CD1 4.27Å
181Q96Very high88.6Confident32 Ų3249.1 Ų49.115%0.1531%0.309CS..SBendtrans-160.5139.4-173.3-173.7566400111.6I179 N250 V251 A254 R273I179-Q181 PolarHBondContact O-N 2.67Å; Q181-N250 HydrophobicContact CB-CB 4.04Å; Q181-N250 HydrophobicContact CG-CB 4.32Å; Q181-N250 VanDerWaalsContact O-CB 3.27Å; Q181-N250 WeakPolarHBondContact O-CB 3.48Å; Q181-N250 PolarHBondContact O-ND2 2.71Å; Q181-N250 VanDerWaalsContact O-ND2 3.17Å; Q181-V251 HydrophobicContact CB-CB 4.45Å; Q181-A254 HydrophobicContact CG-CB 3.54Å; Q181-R273 VanDerWaalsContact OE1-NH2 3.07Å
182S95.9Very high89.4Confident33 Ų3347.9 Ų47.923%0.23131%0.31CS..SBendtrans-62.6143.8171.853.40000112.5F186 Q188S182-F186 CarbonylContact C-O 3.55Å; S182-F186 WeakPolarHBondContact CA-O 3.38Å; S182-Q188 WeakPolarHBondContact CA-O 3.36Å; S182-Q188 VanDerWaalsContact CB-O 3.29Å; S182-Q188 WeakPolarHBondContact CB-O 3.32Å; S182-Q188 PolarHBondContact N-O 3.41Å
183G96.3Very high90.3Very high24 Ų2445.7 Ų45.725%0.24730%0.295CS..BIsolated β-bridgetrans162.2-136.8-178.400000112.5G185 F186 F362G183-G185 PolarHBondContact O-N 2.69Å; G183-F186 PolarHBondContact N-O 3.16Å; G183-F186 PolarHBondContact O-N 2.77Å; G183-F362 VanDerWaalsContact CA-CZ 3.45Å
184V95.7Very high91.2Very high11 Ų1147.8 Ų47.87%0.06731%0.313CS..THydrogen-bonded Turntrans-54.3125.4177.5-177.20000109.9F186 L249 N250 I354 D359 F362 I363V184-F186 PolarHBondContact O-N 2.58Å; V184-L249 HydrophobicContact CB-CD2 4.2Å; V184-L249 HydrophobicContact CG1-CD2 4.43Å; V184-L249 HydrophobicContact CG2-CD2 3.83Å; V184-L249 HydrophobicContact CG2-CG 4.4Å; V184-N250 PolarHBondContact N-ND2 3.21Å; V184-N250 PolarHBondContact N-OD1 2.67Å; V184-N250 PolarHBondContact O-ND2 3.05Å; V184-N250 VanDerWaalsContact O-ND2 3.1Å; V184-I354 HydrophobicContact CG1-CD1 3.88Å; V184-I354 HydrophobicContact CG1-CG1 4.15Å; V184-D359 WeakPolarHBondContact CA-OD1 3.37Å; V184-D359 HydrophobicContact CG1-CB 4.26Å; V184-D359 HydrophobicContact CG2-CB 4.25Å; V184-F362 HydrophobicContact CG2-CD1 3.75Å; V184-F362 HydrophobicContact CG2-CE1 4.12Å; V184-I363 HydrophobicContact CG2-CD1 3.97Å; V184-I363 HydrophobicContact CG2-CG1 3.87Å
185G87.9Confident91.6Very high43 Ų4351 Ų5144%0.44333%0.33SS..THydrogen-bonded Turntrans65.2-1.5176.700000116.8G183 L324G183-G185 PolarHBondContact O-N 2.69Å; G185-L324 WeakPolarHBondContact O-CD1 3.37Å
186F90.9Very high91.9Very high26 Ų2651.2 Ų51.211%0.11433%0.33CS..BIsolated β-bridgetrans-143.3110-174.3-166.7-107.9000112.1C176 I179 S182 G183 V184 Q188 P190C176-F186 WeakPolarHBondContact O-CE2 3.47Å; I179-F186 HydrophobicContact CB-CB 4.4Å; I179-F186 HydrophobicContact CB-CD1 3.73Å; I179-F186 HydrophobicContact CB-CD2 4.03Å; I179-F186 HydrophobicContact CB-CE1 3.87Å; I179-F186 HydrophobicContact CB-CE2 4.17Å; I179-F186 HydrophobicContact CB-CG 3.8Å; I179-F186 HydrophobicContact CB-CZ 4.09Å; I179-F186 HydrophobicContact CD1-CB 4.11Å; I179-F186 HydrophobicContact CD1-CD2 3.8Å; I179-F186 HydrophobicContact CD1-CE2 4.41Å; I179-F186 HydrophobicContact CD1-CG 4.02Å; I179-F186 HydrophobicContact CG1-CD2 4.41Å; I179-F186 HydrophobicContact CG1-CG 4.5Å; I179-F186 HydrophobicContact CG2-CB 3.96Å; I179-F186 HydrophobicContact CG2-CD1 3.65Å; I179-F186 HydrophobicContact CG2-CD2 4.49Å; I179-F186 HydrophobicContact CG2-CE1 4.22Å; I179-F186 HydrophobicContact CG2-CG 3.79Å; I179-F186 WeakPolarHBondContact O-CE1 3.47Å; S182-F186 CarbonylContact C-O 3.55Å; S182-F186 WeakPolarHBondContact CA-O 3.38Å; G183-F186 PolarHBondContact N-O 3.16Å; G183-F186 PolarHBondContact O-N 2.77Å; V184-F186 PolarHBondContact O-N 2.58Å; F186-Q188 VanDerWaalsContact CD1-O 3.24Å; F186-Q188 WeakPolarHBondContact CD1-O 3.24Å; F186-Q188 HydrophobicContact CE1-CB 3.89Å; F186-Q188 WeakPolarHBondContact CE1-O 3.4Å; F186-Q188 HydrophobicContact CZ-CB 3.94Å; F186-P190 HydrophobicContact CE1-CG 4.49Å
187A87.7Confident92.2Very high103 Ų10349.3 Ų49.385%0.85132%0.317SS*.  trans-86.1-21.9-173.100000114.5
188Q86.4Confident92.5Very high145 Ų14547.6 Ų47.668%0.67832%0.315SS*.  trans-78.8142.4-177.3-58.7-169.821.500110.9S182 F186S182-Q188 WeakPolarHBondContact CA-O 3.36Å; S182-Q188 VanDerWaalsContact CB-O 3.29Å; S182-Q188 WeakPolarHBondContact CB-O 3.32Å; S182-Q188 PolarHBondContact N-O 3.41Å; F186-Q188 VanDerWaalsContact CD1-O 3.24Å; F186-Q188 WeakPolarHBondContact CD1-O 3.24Å; F186-Q188 HydrophobicContact CE1-CB 3.89Å; F186-Q188 WeakPolarHBondContact CE1-O 3.4Å; F186-Q188 HydrophobicContact CZ-CB 3.94Å
189A81.8Confident92.7Very high75 Ų7547.4 Ų47.462%0.6232%0.315SS*.  trans-108.1106.2176.800000109.3
190P87.7Confident92.8Very high44 Ų4447.2 Ų47.229%0.28631%0.314SS..PPolyproline II helixtrans-65.2157.5176.6-1830.6000111.8I179 F186 V192I179-P190 WeakPolarHBondContact O-CG 3.37Å; F186-P190 HydrophobicContact CE1-CG 4.49Å; P190-V192 PolarHBondContact O-N 3.08Å
191A87.4Confident92.9Very high67 Ų6747.7 Ų47.755%0.55432%0.317SS*.PPolyproline II helixtrans-59138.316900000110.9H157H157-A191 PolarHBondContact CE1-O 2.98Å; H157-A191 PolarHBondContact ND1-O 2.85Å
192V89.1Confident92.9Very high99 Ų9947.3 Ų47.360%0.632%0.315SS*.PPolyproline II helixtrans-81.1133175.4-175.30000109.1P190P190-V192 PolarHBondContact O-N 3.08Å
193N94.6Very high93.1Very high43 Ų4345.8 Ų45.823%0.2330%0.304CS..  trans-143.5117.4-178.2176.7-22.7000109.6H157 I195 H196 D197H157-N193 VanDerWaalsContact CE1-CB 3.45Å; H157-N193 WeakPolarHBondContact CE1-CB 3.41Å; H157-N193 WeakPolarHBondContact NE2-CB 3.25Å; H157-N193 PolarHBondContact NE2-ND2 2.87Å; H157-N193 VanDerWaalsContact NE2-ND2 3.12Å; N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 3.02Å; N193-I195 WeakPolarHBondContact OD1-CB 3.4Å; N193-I195 PolarHBondContact OD1-N 3.34Å; N193-H196 HydrophobicContact CB-CB 4.12Å; N193-H196 PolarHBondContact ND2-CE1 2.84Å; N193-H196 PolarHBondContact ND2-NE2 3.17Å; N193-H196 PolarHBondContact O-N 2.94Å; N193-H196 PolarHBondContact OD1-N 2.96Å; N193-D197 PolarHBondContact O-N 3.3Å
194A95.1Very high93.2Very high52 Ų5244.6 Ų44.643%0.4329%0.292SS..Hα-helixtrans-65.3-27.6-175.200000113.7S198 S272A194-S198 WeakPolarHBondContact O-CB 3.46Å; A194-S198 PolarHBondContact O-N 3.05Å; A194-S272 WeakPolarHBondContact CB-OG 3.33Å
195I95.5Very high93.3Very high109 Ų10945.7 Ų45.756%0.55930%0.296SS*.Hα-helixtrans-71.1-46.8175.4-59.7174.8000109.2N193 D197 S198 N199N193-I195 VanDerWaalsContact C-N 3.28Å; N193-I195 PolarHBondContact O-N 3.02Å; N193-I195 WeakPolarHBondContact OD1-CB 3.4Å; N193-I195 PolarHBondContact OD1-N 3.34Å; I195-D197 VanDerWaalsContact C-N 3.31Å; I195-D197 PolarHBondContact O-N 2.94Å; I195-S198 WeakPolarHBondContact O-CB 3.27Å; I195-S198 PolarHBondContact O-N 2.97Å; I195-N199 WeakPolarHBondContact O-CB 3.38Å; I195-N199 PolarHBondContact O-N 3.46Å; I195-N199 PolarHBondContact O-ND2 2.85Å
196H96.1Very high93.8Very high9 Ų943.6 Ų43.64%0.04228%0.275CS..Hα-helixtrans-60.3-41.8176-65.1-179.4000111.3F154 V156 H157 N193 N199 R200F154-H196 PolarHBondContact O-CD2 3.01Å; V156-H196 VanDerWaalsContact C-CE1 3.43Å; V156-H196 PolarHBondContact O-CE1 2.85Å; V156-H196 VanDerWaalsContact O-CE1 3.25Å; H157-H196 AromaticContact CD2-CE1 3.46Å; H157-H196 PolarHBondContact CD2-CE1 3.41Å; H157-H196 VanDerWaalsContact CD2-CE1 3.46Å; H157-H196 AromaticContact CD2-ND1 3.97Å; H157-H196 AromaticContact CE1-CE1 3.94Å; H157-H196 AromaticContact CE1-ND1 3.68Å; H157-H196 AromaticContact CG-CE1 3.85Å; H157-H196 AromaticContact ND1-ND1 3.94Å; H157-H196 AromaticContact NE2-CE1 3.52Å; H157-H196 AromaticContact NE2-ND1 3.68Å; N193-H196 HydrophobicContact CB-CB 4.12Å; N193-H196 PolarHBondContact ND2-CE1 2.84Å; N193-H196 PolarHBondContact ND2-NE2 3.17Å; N193-H196 PolarHBondContact O-N 2.94Å; N193-H196 PolarHBondContact OD1-N 2.96Å; H196-N199 PolarHBondContact O-N 3.4Å; H196-R200 WeakPolarHBondContact O-CB 3.32Å; H196-R200 WeakPolarHBondContact O-CD 3.23Å; H196-R200 WeakPolarHBondContact O-CG 3.12Å; H196-R200 PolarHBondContact O-N 3.41Å
197D97.1Very high94.1Very high0 Ų042.4 Ų42.40%027%0.27CS..Hα-helixtrans-66.5-37.1176.2-70.1-30.2000113N193 I195 R200 T201 R273 L276N193-D197 PolarHBondContact O-N 3.3Å; I195-D197 VanDerWaalsContact C-N 3.31Å; I195-D197 PolarHBondContact O-N 2.94Å; D197-R200 IonicContact OD1-CZ 2.7Å; D197-R200 IonicContact OD1-NH1 3.8Å; D197-R200 PolarHBondContact OD1-NH1 3.39Å; D197-T201 WeakPolarHBondContact O-CB 3.34Å; D197-T201 PolarHBondContact O-N 3.18Å; D197-T201 PolarHBondContact O-OG1 2.72Å; D197-R273 IonicContact OD1-CZ 3.54Å; D197-R273 IonicContact OD1-NE 3.5Å; D197-R273 IonicContact OD1-NH1 3.53Å; D197-R273 PolarHBondContact OD1-NH1 3Å; D197-R273 WeakPolarHBondContact OD2-CD 3.39Å; D197-R273 IonicContact OD2-CZ 3.58Å; D197-R273 IonicContact OD2-NE 2.71Å; D197-R273 PolarHBondContact OD2-NE 3.39Å; D197-R273 IonicContact OD2-NH1 2.76Å; D197-R273 PolarHBondContact OD2-NH1 2.58Å; D197-L276 HydrophobicContact CB-CD2 4.13Å; D197-L276 WeakPolarHBondContact OD1-CD2 3.01Å
198S96.7Very high94.7Very high58 Ų5837.5 Ų37.541%0.40623%0.229SC..Hα-helixtrans-63.4-48.3172.2-168.50000111.7A194 I195 T201 E202A194-S198 WeakPolarHBondContact O-CB 3.46Å; A194-S198 PolarHBondContact O-N 3.05Å; I195-S198 WeakPolarHBondContact O-CB 3.27Å; I195-S198 PolarHBondContact O-N 2.97Å; S198-T201 WeakPolarHBondContact O-CB 3.47Å; S198-T201 PolarHBondContact O-N 3.49Å; S198-T201 VanDerWaalsContact O-N 3.12Å; S198-E202 PolarHBondContact O-N 2.73Å
199N97.2Very high95.2Very high10 Ų1030.6 Ų30.65%0.05320%0.197CC..Hα-helixtrans-63.3-46.3-178.9-66.4-13.7000111.2F154 T155 I195 H196 T201 E202 I203F154-N199 HydrophobicContact CD2-CB 4.44Å; F154-N199 VanDerWaalsContact CD2-ND2 3.29Å; F154-N199 WeakPolarHBondContact CD2-ND2 3.45Å; F154-N199 HydrophobicContact CE2-CB 4.03Å; F154-N199 VanDerWaalsContact CE2-ND2 3.32Å; F154-N199 WeakPolarHBondContact CE2-ND2 3.43Å; F154-N199 HydrophobicContact CZ-CB 4.18Å; F154-N199 PolarHBondContact O-ND2 3.18Å; T155-N199 HydrophobicContact CG2-CB 3.88Å; I195-N199 WeakPolarHBondContact O-CB 3.38Å; I195-N199 PolarHBondContact O-N 3.46Å; I195-N199 PolarHBondContact O-ND2 2.85Å; H196-N199 PolarHBondContact O-N 3.4Å; N199-T201 VanDerWaalsContact C-N 3.29Å; N199-T201 PolarHBondContact O-N 2.66Å; N199-E202 PolarHBondContact O-N 2.73Å; N199-I203 WeakPolarHBondContact O-CD1 3.36Å; N199-I203 VanDerWaalsContact O-CG1 3.31Å; N199-I203 WeakPolarHBondContact O-CG1 3.49Å; N199-I203 PolarHBondContact O-N 2.96Å
200R98Very high96Very high7 Ų727 Ų273%0.02617%0.167CC..Hα-helixtrans-55.1-44170.8-70163.8-175.1157.8-3.8111.6L149 T155 W180 H196 D197 E202 I203 L204 L276L149-R200 HydrophobicContact CD2-CB 4.14Å; L149-R200 HydrophobicContact CD2-CG 4.07Å; T155-R200 HydrophobicContact CG2-CG 4.18Å; T155-R200 PolarHBondContact O-NE 3.29Å; T155-R200 PolarHBondContact O-NH2 2.68Å; W180-R200 HydrophobicContact CZ2-CG 4.5Å; H196-R200 WeakPolarHBondContact O-CB 3.32Å; H196-R200 WeakPolarHBondContact O-CD 3.23Å; H196-R200 WeakPolarHBondContact O-CG 3.12Å; H196-R200 PolarHBondContact O-N 3.41Å; D197-R200 IonicContact OD1-CZ 2.7Å; D197-R200 IonicContact OD1-NH1 3.8Å; D197-R200 PolarHBondContact OD1-NH1 3.39Å; R200-E202 PolarHBondContact O-N 2.93Å; R200-I203 PolarHBondContact O-N 3.37Å; R200-L204 VanDerWaalsContact O-CB 3.3Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.11Å; R200-L276 HydrophobicContact CB-CD1 3.68Å; R200-L276 HydrophobicContact CB-CD2 4.31Å
201T97.7Very high96.4Very high11 Ų1124.9 Ų24.97%0.06715%0.154CC..Hα-helixtrans-62.7-42.1-179.4-59.30000112D197 S198 N199 K205 P275 L276 V279D197-T201 WeakPolarHBondContact O-CB 3.34Å; D197-T201 PolarHBondContact O-N 3.18Å; D197-T201 PolarHBondContact O-OG1 2.72Å; S198-T201 WeakPolarHBondContact O-CB 3.47Å; S198-T201 PolarHBondContact O-N 3.49Å; S198-T201 VanDerWaalsContact O-N 3.12Å; N199-T201 VanDerWaalsContact C-N 3.29Å; N199-T201 PolarHBondContact O-N 2.66Å; T201-K205 HydrophobicContact CG2-CD 4.44Å; T201-K205 WeakPolarHBondContact O-CB 3.3Å; T201-K205 WeakPolarHBondContact O-CG 3.3Å; T201-K205 PolarHBondContact O-N 3.37Å; T201-P275 HydrophobicContact CG2-CB 3.97Å; T201-L276 WeakPolarHBondContact OG1-CA 3.14Å; T201-L276 WeakPolarHBondContact OG1-CB 3.42Å; T201-L276 PolarHBondContact OG1-N 3.29Å; T201-V279 HydrophobicContact CG2-CG1 4.32Å
202E97.1Very high96.9Very high25 Ų2521.7 Ų21.712%0.11713%0.127CC..Hα-helixtrans-70.2-41.1178.3-66.6-163.3-107.200112.2L95 I98 R99 S198 N199 R200 K205 L206L95-E202 HydrophobicContact CD2-CB 4.33Å; I98-E202 HydrophobicContact CG2-CB 4.23Å; I98-E202 WeakPolarHBondContact CG2-O 3.3Å; R99-E202 VanDerWaalsContact CG-OE2 3.23Å; R99-E202 WeakPolarHBondContact CG-OE2 3.21Å; R99-E202 IonicContact CZ-OE1 3.63Å; R99-E202 IonicContact CZ-OE2 3.09Å; R99-E202 IonicContact NE-OE1 3.67Å; R99-E202 IonicContact NE-OE2 2.73Å; R99-E202 PolarHBondContact NE-OE2 3.2Å; R99-E202 IonicContact NH2-OE1 3.46Å; R99-E202 PolarHBondContact NH2-OE1 2.92Å; R99-E202 IonicContact NH2-OE2 3.67Å; S198-E202 PolarHBondContact O-N 2.73Å; N199-E202 PolarHBondContact O-N 2.73Å; R200-E202 PolarHBondContact O-N 2.93Å; E202-K205 PolarHBondContact O-N 3.26Å; E202-L206 PolarHBondContact O-N 3.33Å; E202-L206 VanDerWaalsContact O-N 3.12Å
203I98.5Very high97.2Very high0 Ų018.1 Ų18.10%010%0.104CC..Hα-helixtrans-61.1-47.8174.2-63160.2000111.1I98 L145 L148 L149 F154 T155 N199 R200 K205 L206 I207I98-I203 HydrophobicContact CD1-CG1 3.63Å; L145-I203 HydrophobicContact CB-CG2 3.92Å; L145-I203 HydrophobicContact CD2-CG2 4Å; L145-I203 HydrophobicContact CG-CG2 4.46Å; L145-I203 WeakPolarHBondContact O-CG2 3.33Å; L148-I203 HydrophobicContact CB-CD1 4.08Å; L149-I203 HydrophobicContact CD1-CG2 3.98Å; L149-I203 HydrophobicContact CD2-CB 4Å; L149-I203 HydrophobicContact CD2-CD1 4.03Å; L149-I203 HydrophobicContact CD2-CG2 3.9Å; L149-I203 HydrophobicContact CG-CB 4.31Å; L149-I203 HydrophobicContact CG-CD1 4.34Å; L149-I203 HydrophobicContact CG-CG2 3.66Å; F154-I203 HydrophobicContact CE1-CD1 3.99Å; T155-I203 HydrophobicContact CG2-CD1 3.7Å; N199-I203 WeakPolarHBondContact O-CD1 3.36Å; N199-I203 VanDerWaalsContact O-CG1 3.31Å; N199-I203 WeakPolarHBondContact O-CG1 3.49Å; N199-I203 PolarHBondContact O-N 2.96Å; R200-I203 PolarHBondContact O-N 3.37Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.26Å; I203-L206 PolarHBondContact O-N 3.19Å; I203-L206 VanDerWaalsContact O-N 3.13Å; I203-I207 HydrophobicContact CG2-CD1 3.94Å; I203-I207 PolarHBondContact O-N 3.12Å
204L98.6Very high97.2Very high0 Ų016.7 Ų16.70%010%0.097CC..Hα-helixtrans-66.5-31.9178.8-69.1169.1000112.2L149 W180 R200 L206 I207 L208 L248 L276 V279 I283L149-L204 HydrophobicContact CD1-CD2 3.83Å; L149-L204 HydrophobicContact CD1-CG 4.39Å; L149-L204 HydrophobicContact CD2-CG 4.24Å; W180-L204 HydrophobicContact CH2-CD1 3.94Å; W180-L204 HydrophobicContact CH2-CD2 4.41Å; W180-L204 HydrophobicContact CZ3-CD1 4.01Å; R200-L204 VanDerWaalsContact O-CB 3.3Å; R200-L204 WeakPolarHBondContact O-CB 3.32Å; R200-L204 WeakPolarHBondContact O-CG 3.3Å; R200-L204 PolarHBondContact O-N 3.11Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-I207 HydrophobicContact CD2-CD1 4.24Å; L204-I207 PolarHBondContact O-N 2.91Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.06Å; L204-L248 HydrophobicContact CD1-CD2 4.15Å; L204-L248 HydrophobicContact CD2-CD2 4.11Å; L204-L276 HydrophobicContact CD1-CD1 3.47Å; L204-L276 VanDerWaalsContact CD1-CD1 3.47Å; L204-V279 HydrophobicContact CB-CB 4.46Å; L204-V279 HydrophobicContact CB-CG1 3.7Å; L204-V279 HydrophobicContact CB-CG2 3.88Å; L204-V279 HydrophobicContact CD1-CG1 3.99Å; L204-I283 HydrophobicContact CB-CD1 3.84Å; L204-I283 HydrophobicContact CD2-CD1 3.6Å; L204-I283 HydrophobicContact CG-CD1 4.26Å
205K97.9Very high97.2Very high33 Ų3314.2 Ų14.214%0.1438%0.076CC..Hα-helixtrans-64.8-35.7171.5-82.9-175.6173.7-175.10112.1T201 E202 I203 T209 V279 T947 I950T201-K205 HydrophobicContact CG2-CD 4.44Å; T201-K205 WeakPolarHBondContact O-CB 3.3Å; T201-K205 WeakPolarHBondContact O-CG 3.3Å; T201-K205 PolarHBondContact O-N 3.37Å; E202-K205 PolarHBondContact O-N 3.26Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.26Å; K205-T209 WeakPolarHBondContact O-CB 3.44Å; K205-T209 PolarHBondContact O-N 3.34Å; K205-T209 PolarHBondContact O-OG1 2.64Å; K205-V279 HydrophobicContact CG-CG2 4.01Å; K205-T947 PolarHBondContact NZ-O 2.87Å; K205-I950 HydrophobicContact CD-CD1 4.44Å
206L98.3Very high97.2Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-69.1-43.5171.8179.455.1000112.1I98 L101 L105 L141 L145 E202 I203 L204 L208 T209 C210I98-L206 HydrophobicContact CB-CD2 4.26Å; I98-L206 HydrophobicContact CG1-CD2 4.04Å; I98-L206 HydrophobicContact CG2-CB 4.06Å; I98-L206 HydrophobicContact CG2-CD2 4.17Å; L101-L206 HydrophobicContact CB-CD1 3.71Å; L101-L206 HydrophobicContact CB-CD2 4Å; L101-L206 HydrophobicContact CD1-CD2 4.14Å; L105-L206 HydrophobicContact CD1-CD1 3.67Å; L141-L206 HydrophobicContact CD1-CD2 4.37Å; L145-L206 HydrophobicContact CD1-CB 4.39Å; L145-L206 HydrophobicContact CD1-CD2 3.72Å; L145-L206 HydrophobicContact CD1-CG 3.83Å; L145-L206 HydrophobicContact CD2-CD2 4.01Å; L145-L206 HydrophobicContact CG-CD2 4.5Å; E202-L206 PolarHBondContact O-N 3.33Å; E202-L206 VanDerWaalsContact O-N 3.12Å; I203-L206 PolarHBondContact O-N 3.19Å; I203-L206 VanDerWaalsContact O-N 3.13Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.2Å; L206-T209 CarbonylContact O-C 3.57Å; L206-T209 WeakPolarHBondContact O-CA 3.19Å; L206-T209 VanDerWaalsContact O-CB 3.3Å; L206-T209 WeakPolarHBondContact O-CB 3.32Å; L206-T209 PolarHBondContact O-N 2.7Å; L206-C210 PolarHBondContact O-N 3.22Å
207I98.7Very high97Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-59.1-45.2175.6-67.6165.5000111L142 L145 L149 I203 L204 T209 C210 F211 F233 I283L142-I207 HydrophobicContact CD2-CG1 4.23Å; L142-I207 HydrophobicContact CD2-CG2 4.38Å; L145-I207 HydrophobicContact CB-CD1 4.14Å; L145-I207 HydrophobicContact CB-CG1 4.19Å; L145-I207 HydrophobicContact CD1-CG1 3.95Å; L149-I207 HydrophobicContact CD1-CD1 3.78Å; I203-I207 HydrophobicContact CG2-CD1 3.94Å; I203-I207 PolarHBondContact O-N 3.12Å; L204-I207 HydrophobicContact CD2-CD1 4.24Å; L204-I207 PolarHBondContact O-N 2.91Å; I207-T209 VanDerWaalsContact C-N 3.25Å; I207-T209 PolarHBondContact O-N 2.89Å; I207-C210 WeakPolarHBondContact O-CB 3.38Å; I207-C210 PolarHBondContact O-N 2.92Å; I207-F211 HydrophobicContact CG2-CD1 4.48Å; I207-F211 HydrophobicContact CG2-CD2 4.44Å; I207-F211 HydrophobicContact CG2-CE1 3.83Å; I207-F211 HydrophobicContact CG2-CE2 3.78Å; I207-F211 HydrophobicContact CG2-CZ 3.42Å; I207-F211 VanDerWaalsContact CG2-CZ 3.42Å; I207-F211 WeakPolarHBondContact O-CD1 3.45Å; I207-F211 WeakPolarHBondContact O-CG 3.23Å; I207-F211 PolarHBondContact O-N 2.89Å; I207-F233 HydrophobicContact CD1-CE2 4.18Å; I207-F233 HydrophobicContact CG2-CD2 4.26Å; I207-F233 HydrophobicContact CG2-CE2 4.05Å; I207-F233 HydrophobicContact CG2-CZ 4.49Å; I207-I283 HydrophobicContact CG2-CD1 4.33Å
208L98.3Very high96.7Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-62.5-33.4173.7-176.962.9000112.1L204 L206 F211 S212 V279 Q282 I283 I286 W938 I941 W951L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.38Å; L204-L208 PolarHBondContact O-N 3.06Å; L206-L208 VanDerWaalsContact C-N 3.34Å; L206-L208 PolarHBondContact O-N 3.2Å; L208-F211 PolarHBondContact O-N 3.25Å; L208-S212 PolarHBondContact O-N 3.16Å; L208-S212 VanDerWaalsContact O-N 3.16Å; L208-V279 HydrophobicContact CB-CG2 4.39Å; L208-V279 HydrophobicContact CD2-CG2 3.96Å; L208-Q282 HydrophobicContact CD1-CB 4.49Å; L208-Q282 HydrophobicContact CD2-CB 4.21Å; L208-I283 HydrophobicContact CB-CD1 4.39Å; L208-I283 HydrophobicContact CB-CG1 4.26Å; L208-I283 HydrophobicContact CD1-CG1 4.27Å; L208-I286 HydrophobicContact CD1-CD1 3.32Å; L208-W938 HydrophobicContact CD1-CH2 4.29Å; L208-W938 HydrophobicContact CD1-CZ3 4.31Å; L208-I941 HydrophobicContact CD1-CD1 4.44Å; L208-I941 HydrophobicContact CD1-CG2 4.45Å; L208-I941 HydrophobicContact CD2-CG2 4.18Å; L208-W951 HydrophobicContact CD2-CH2 3.97Å; L208-W951 HydrophobicContact CG-CH2 3.92Å; L208-W951 HydrophobicContact CG-CZ2 4.42Å
209T98Very high96.2Very high0 Ų014.3 Ų14.30%07%0.068CC..Hα-helixtrans-67.9-42.7173.2-56.50000111.6L105 P106 F109 K205 L206 I207 F211 S212 I950L105-T209 HydrophobicContact CB-CG2 3.85Å; L105-T209 HydrophobicContact CD1-CG2 4.34Å; P106-T209 HydrophobicContact CG-CG2 3.75Å; F109-T209 WeakPolarHBondContact CE2-O 3.29Å; K205-T209 WeakPolarHBondContact O-CB 3.44Å; K205-T209 PolarHBondContact O-N 3.34Å; K205-T209 PolarHBondContact O-OG1 2.64Å; L206-T209 CarbonylContact O-C 3.57Å; L206-T209 WeakPolarHBondContact O-CA 3.19Å; L206-T209 VanDerWaalsContact O-CB 3.3Å; L206-T209 WeakPolarHBondContact O-CB 3.32Å; L206-T209 PolarHBondContact O-N 2.7Å; I207-T209 VanDerWaalsContact C-N 3.25Å; I207-T209 PolarHBondContact O-N 2.89Å; T209-F211 VanDerWaalsContact C-N 3.31Å; T209-F211 PolarHBondContact O-N 2.92Å; T209-S212 WeakPolarHBondContact O-CB 3.28Å; T209-S212 PolarHBondContact O-N 2.82Å; T209-S212 PolarHBondContact O-OG 2.91Å; T209-I950 HydrophobicContact CG2-CG2 4.21Å
210C97.9Very high95.7Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-57.3-43.8170.6-68.10000111.8L206 I207 S212 W229L206-C210 PolarHBondContact O-N 3.22Å; I207-C210 WeakPolarHBondContact O-CB 3.38Å; I207-C210 PolarHBondContact O-N 2.92Å; C210-S212 PolarHBondContact O-N 3.46Å; C210-W229 HydrophobicContact CB-CB 4.48Å; C210-W229 HydrophobicContact CB-CD2 3.81Å; C210-W229 HydrophobicContact CB-CE3 3.58Å; C210-W229 HydrophobicContact CB-CG 4.22Å; C210-W229 HydrophobicContact CB-CZ3 4.02Å
211F97.5Very high95.3Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-64.4-21.2177.3-62.1-8.6000113.1I207 L208 T209 E213 N227 W229 V230 F233 I283 I286 T287 W938I207-F211 HydrophobicContact CG2-CD1 4.48Å; I207-F211 HydrophobicContact CG2-CD2 4.44Å; I207-F211 HydrophobicContact CG2-CE1 3.83Å; I207-F211 HydrophobicContact CG2-CE2 3.78Å; I207-F211 HydrophobicContact CG2-CZ 3.42Å; I207-F211 VanDerWaalsContact CG2-CZ 3.42Å; I207-F211 WeakPolarHBondContact O-CD1 3.45Å; I207-F211 WeakPolarHBondContact O-CG 3.23Å; I207-F211 PolarHBondContact O-N 2.89Å; L208-F211 PolarHBondContact O-N 3.25Å; T209-F211 VanDerWaalsContact C-N 3.31Å; T209-F211 PolarHBondContact O-N 2.92Å; F211-E213 PolarHBondContact O-N 2.92Å; F211-E213 VanDerWaalsContact O-N 3.12Å; F211-N227 PolarHBondContact O-ND2 3.5Å; F211-W229 HydrophobicContact CD1-CB 3.68Å; F211-W229 HydrophobicContact CE1-CB 4.06Å; F211-V230 HydrophobicContact CB-CG2 4.13Å; F211-V230 HydrophobicContact CD1-CG2 3.69Å; F211-V230 HydrophobicContact CD2-CG2 3.94Å; F211-V230 HydrophobicContact CE1-CG2 4.03Å; F211-V230 HydrophobicContact CE2-CG2 4.25Å; F211-V230 HydrophobicContact CG-CG2 3.65Å; F211-V230 HydrophobicContact CZ-CG2 4.3Å; F211-F233 HydrophobicContact CE1-CB 4.02Å; F211-F233 HydrophobicContact CE1-CG 4.27Å; F211-F233 HydrophobicContact CE2-CD1 4.46Å; F211-F233 HydrophobicContact CZ-CB 3.84Å; F211-F233 AromaticContact CZ-CD1 3.73Å; F211-F233 HydrophobicContact CZ-CD1 3.73Å; F211-F233 HydrophobicContact CZ-CD2 4.16Å; F211-F233 HydrophobicContact CZ-CE1 4.27Å; F211-F233 AromaticContact CZ-CG 3.66Å; F211-F233 HydrophobicContact CZ-CG 3.66Å; F211-I283 HydrophobicContact CE2-CG1 4.41Å; F211-I283 HydrophobicContact CE2-CG2 4.27Å; F211-I286 HydrophobicContact CD2-CD1 4.33Å; F211-I286 HydrophobicContact CD2-CG2 4.14Å; F211-T287 HydrophobicContact CE2-CG2 4.04Å; F211-T287 HydrophobicContact CZ-CG2 4.46Å; F211-W938 VanDerWaalsContact C-CH2 3.49Å; F211-W938 HydrophobicContact CB-CH2 3.88Å; F211-W938 HydrophobicContact CB-CZ2 4.25Å; F211-W938 WeakPolarHBondContact O-CH2 3.34Å; F211-W938 VanDerWaalsContact O-CZ2 3.31Å; F211-W938 WeakPolarHBondContact O-CZ2 3.45Å
212S96.8Very high94.8Very high0 Ų022.7 Ų22.70%011%0.107CC..G310 helixtrans-69.6-3.9-176.176.50000115.7L208 T209 C210 T214 M215 Y216 W951L208-S212 PolarHBondContact O-N 3.16Å; L208-S212 VanDerWaalsContact O-N 3.16Å; T209-S212 WeakPolarHBondContact O-CB 3.28Å; T209-S212 PolarHBondContact O-N 2.82Å; T209-S212 PolarHBondContact O-OG 2.91Å; C210-S212 PolarHBondContact O-N 3.46Å; S212-T214 PolarHBondContact O-N 2.86Å; S212-M215 VanDerWaalsContact O-CB 3.27Å; S212-M215 WeakPolarHBondContact O-CB 3.22Å; S212-M215 WeakPolarHBondContact O-CG 3.5Å; S212-M215 PolarHBondContact O-N 2.83Å; S212-Y216 WeakPolarHBondContact O-CD2 3.49Å; S212-W951 PolarHBondContact OG-NE1 2.8Å
213E95.4Very high94.2Very high23 Ų2324.3 Ų24.311%0.10711%0.114CC..G310 helixtrans-48.9-36.4173-170.5-179.8162.600111.9F109 F211 M215 Y216 W229F109-E213 HydrophobicContact CD1-CB 4.17Å; F109-E213 HydrophobicContact CD1-CG 3.94Å; F109-E213 HydrophobicContact CD2-CB 4.24Å; F109-E213 HydrophobicContact CE1-CB 4.18Å; F109-E213 HydrophobicContact CE1-CG 4.21Å; F109-E213 HydrophobicContact CE2-CB 4.25Å; F109-E213 HydrophobicContact CG-CB 4.2Å; F109-E213 HydrophobicContact CG-CG 4.26Å; F109-E213 HydrophobicContact CZ-CB 4.22Å; F211-E213 PolarHBondContact O-N 2.92Å; F211-E213 VanDerWaalsContact O-N 3.12Å; E213-M215 PolarHBondContact O-N 2.67Å; E213-M215 VanDerWaalsContact O-N 3.1Å; E213-Y216 PolarHBondContact O-N 2.95Å; E213-W229 PolarHBondContact OE2-NE1 3.05Å
214T94.5Very high93.5Very high13 Ų1333.6 Ų33.68%0.0815%0.149CC..G310 helixtrans-56.6-25.1176.1-59.40000114.3S212 Y216 A222 N227 L958S212-T214 PolarHBondContact O-N 2.86Å; T214-Y216 VanDerWaalsContact C-N 3.26Å; T214-Y216 PolarHBondContact O-N 3.43Å; T214-A222 HydrophobicContact CG2-CB 4.34Å; T214-N227 PolarHBondContact OG1-ND2 3.42Å; T214-L958 HydrophobicContact CG2-CD2 4.3Å
215M94.9Very high92.8Very high0 Ų036 Ų360%017%0.166CC..G310 helixtrans-72.2-20.5179.3-56.7177.772.400112.9S212 E213 W938 Y942 W951 V956 R957 L958 F959S212-M215 VanDerWaalsContact O-CB 3.27Å; S212-M215 WeakPolarHBondContact O-CB 3.22Å; S212-M215 WeakPolarHBondContact O-CG 3.5Å; S212-M215 PolarHBondContact O-N 2.83Å; E213-M215 PolarHBondContact O-N 2.67Å; E213-M215 VanDerWaalsContact O-N 3.1Å; M215-W938 HydrophobicContact CE-CE3 4.36Å; M215-W938 HydrophobicContact CG-CB 4.15Å; M215-W938 HydrophobicContact CG-CD2 3.74Å; M215-W938 HydrophobicContact CG-CE3 3.61Å; M215-W938 HydrophobicContact CG-CG 4Å; M215-W938 HydrophobicContact CG-CZ3 4.25Å; M215-W938 HydrophobicContact SD-CD2 4.12Å; M215-W938 HydrophobicContact SD-CE3 3.37Å; M215-W938 HydrophobicContact SD-CZ3 3.8Å; M215-Y942 HydrophobicContact CE-CD2 3.68Å; M215-Y942 HydrophobicContact CE-CG 4.26Å; M215-W951 HydrophobicContact CE-CG 4.43Å; M215-W951 HydrophobicContact SD-CD2 4.32Å; M215-W951 HydrophobicContact SD-CG 4.32Å; M215-V956 HydrophobicContact CB-CG1 4.44Å; M215-V956 HydrophobicContact CE-CG2 4.45Å; M215-V956 WeakPolarHBondContact O-CG1 3.38Å; M215-R957 PolarHBondContact O-N 2.68Å; M215-L958 PolarHBondContact O-N 3.21Å; M215-F959 HydrophobicContact CE-CE1 4.03Å; M215-F959 HydrophobicContact CE-CZ 3.74Å
216Y95.2Very high92.3Very high1 Ų138.3 Ų38.30%0.00418%0.177CC..G310 helixtrans-101.39.1-176.5-56.7-88.3000112.9P106 F109 E110 S212 E213 T214 T954 N955P106-Y216 WeakPolarHBondContact CA-OH 3.45Å; P106-Y216 WeakPolarHBondContact CB-OH 3.27Å; P106-Y216 WeakPolarHBondContact O-CE1 3.33Å; P106-Y216 PolarHBondContact O-OH 3.27Å; F109-Y216 HydrophobicContact CB-CD1 4.49Å; F109-Y216 HydrophobicContact CB-CD2 3.48Å; F109-Y216 VanDerWaalsContact CB-CD2 3.48Å; F109-Y216 HydrophobicContact CB-CE2 3.82Å; F109-Y216 HydrophobicContact CB-CG 3.85Å; F109-Y216 HydrophobicContact CD2-CE2 4.38Å; F109-Y216 HydrophobicContact CG-CD2 4.44Å; F109-Y216 WeakPolarHBondContact O-CB 3.39Å; E110-Y216 HydrophobicContact CB-CD1 4.47Å; E110-Y216 HydrophobicContact CG-CD1 4.11Å; E110-Y216 HydrophobicContact CG-CE1 3.81Å; S212-Y216 WeakPolarHBondContact O-CD2 3.49Å; E213-Y216 PolarHBondContact O-N 2.95Å; T214-Y216 VanDerWaalsContact C-N 3.26Å; T214-Y216 PolarHBondContact O-N 3.43Å; Y216-T954 WeakPolarHBondContact OH-CB 3.49Å; Y216-T954 PolarHBondContact OH-OG1 3.25Å; Y216-N955 WeakPolarHBondContact CD1-O 3.3Å
217L93.2Very high92Very high12 Ų1239.7 Ų39.76%0.06319%0.185CC..SBendtrans-98.4145.8174.6-48-176.9000109.3E221 A222 S225 R957 L958L217-E221 HydrophobicContact CB-CB 4.43Å; L217-E221 HydrophobicContact CB-CG 4.33Å; L217-A222 HydrophobicContact CB-CB 3.88Å; L217-A222 HydrophobicContact CD1-CB 4.22Å; L217-S225 WeakPolarHBondContact CD1-OG 3.37Å; L217-R957 CarbonylContact O-C 3.6Å; L217-L958 WeakPolarHBondContact O-CA 3.16Å; L217-L958 PolarHBondContact O-N 3.16Å
218E91Very high91.8Very high99 Ų9946.2 Ų46.246%0.46321%0.21SC..  trans-64.2153167.9-63.3-57.7149.100110.5E220 E221 A222 R957E218-E220 VanDerWaalsContact C-N 3.27Å; E218-E220 PolarHBondContact O-N 3.36Å; E218-E220 VanDerWaalsContact O-N 3.14Å; E218-E221 HydrophobicContact CB-CB 4.28Å; E218-E221 PolarHBondContact O-N 2.99Å; E218-A222 WeakPolarHBondContact O-CB 3.49Å; E218-A222 PolarHBondContact O-N 2.91Å; E218-R957 VanDerWaalsContact OE1-CD 3.27Å; E218-R957 WeakPolarHBondContact OE1-CD 3.46Å
219Q85.6Confident91.7Very high67 Ų6746.2 Ų46.231%0.31321%0.21SC..Hα-helixtrans-56.4-37.5-174.2-64.3-170.80.600114H223 N935 L958Q219-H223 WeakPolarHBondContact O-CB 3.3Å; Q219-H223 PolarHBondContact O-N 3.13Å; Q219-N935 PolarHBondContact NE2-ND2 3.41Å; Q219-L958 VanDerWaalsContact CG-O 3.22Å; Q219-L958 WeakPolarHBondContact CG-O 3.22Å; Q219-L958 PolarHBondContact NE2-O 3.27Å
220E85.5Confident91.6Very high129 Ų12947 Ų4760%0.60321%0.214SC*.Hα-helixtrans-71.2-39.5173.9-75.3-155.2-143.100113.3E218 H223 R224E218-E220 VanDerWaalsContact C-N 3.27Å; E218-E220 PolarHBondContact O-N 3.36Å; E218-E220 VanDerWaalsContact O-N 3.14Å; E220-H223 PolarHBondContact O-N 3.15Å; E220-R224 WeakPolarHBondContact O-CG 3.42Å; E220-R224 PolarHBondContact O-N 3.38Å; E220-R224 IonicContact OE2-CZ 3.91Å; E220-R224 IonicContact OE2-NE 2.7Å; E220-R224 IonicContact OE2-NH2 3.28Å; E220-R224 PolarHBondContact OE2-NH2 3Å
221E90Very high91.4Very high74 Ų7450 Ų5035%0.34623%0.227SC..Hα-helixtrans-66.4-48.4177.8179175.9-133.100110.2R115 L217 E218 H223 R224 S225R115-E221 IonicContact CZ-OE1 2.66Å; R115-E221 IonicContact CZ-OE2 3.49Å; R115-E221 VanDerWaalsContact NH1-CD 3.28Å; R115-E221 IonicContact NH1-OE1 3.8Å; R115-E221 PolarHBondContact NH1-OE1 3.16Å; R115-E221 IonicContact NH1-OE2 3.81Å; R115-E221 PolarHBondContact NH1-OE2 3.34Å; R115-E221 IonicContact NH2-OE1 3.62Å; R115-E221 IonicContact NH2-OE2 3.37Å; R115-E221 PolarHBondContact NH2-OE2 3.23Å; L217-E221 HydrophobicContact CB-CB 4.43Å; L217-E221 HydrophobicContact CB-CG 4.33Å; E218-E221 HydrophobicContact CB-CB 4.28Å; E218-E221 PolarHBondContact O-N 2.99Å; E221-H223 PolarHBondContact O-N 3.15Å; E221-R224 PolarHBondContact O-N 2.95Å; E221-S225 WeakPolarHBondContact O-CB 3.47Å; E221-S225 PolarHBondContact O-N 3.49Å; E221-S225 PolarHBondContact O-OG 3.08Å
222A88.5Confident91.3Very high1 Ų150.7 Ų50.71%0.00823%0.23CC..Hα-helixtrans-54.8-34.7174.400000112.1T214 L217 E218 R934 L958T214-A222 HydrophobicContact CG2-CB 4.34Å; L217-A222 HydrophobicContact CB-CB 3.88Å; L217-A222 HydrophobicContact CD1-CB 4.22Å; E218-A222 WeakPolarHBondContact O-CB 3.49Å; E218-A222 PolarHBondContact O-N 2.91Å; A222-R934 VanDerWaalsContact O-CZ 3.28Å; A222-R934 PolarHBondContact O-NH1 3.18Å; A222-R934 PolarHBondContact O-NH2 3.26Å; A222-L958 HydrophobicContact CB-CD1 3.55Å
223H83.6Confident91.3Very high59 Ų5950.7 Ų50.727%0.27323%0.23SC..Hα-helixtrans-72.8-36.4177.9176.327.2000112.8Q219 E220 E221 H292 T927 I931 R934Q219-H223 WeakPolarHBondContact O-CB 3.3Å; Q219-H223 PolarHBondContact O-N 3.13Å; E220-H223 PolarHBondContact O-N 3.15Å; E221-H223 PolarHBondContact O-N 3.15Å; H223-H292 AromaticContact CE1-CD2 3.9Å; H223-T927 WeakPolarHBondContact CE1-CG2 3.47Å; H223-T927 WeakPolarHBondContact NE2-CG2 3.37Å; H223-I931 HydrophobicContact CB-CD1 4.09Å; H223-I931 HydrophobicContact CB-CG1 4.14Å; H223-R934 VanDerWaalsContact N-NH2 3.12Å
224R84.9Confident91.3Very high195 Ų19549.7 Ų49.774%0.73623%0.226SC*.Hα-helixtrans-88.2-14-176.6-60.8172.5-163.2-141.811113.9E220 E221E220-R224 WeakPolarHBondContact O-CG 3.42Å; E220-R224 PolarHBondContact O-N 3.38Å; E220-R224 IonicContact OE2-CZ 3.91Å; E220-R224 IonicContact OE2-NE 2.7Å; E220-R224 IonicContact OE2-NH2 3.28Å; E220-R224 PolarHBondContact OE2-NH2 3Å; E221-R224 PolarHBondContact O-N 2.95Å
225S83.8Confident91.4Very high50 Ų5049.9 Ų49.935%0.3523%0.227SC..SBendtrans-104.1138.7-178.2520000112.2L217 E221L217-S225 WeakPolarHBondContact CD1-OG 3.37Å; E221-S225 WeakPolarHBondContact O-CB 3.47Å; E221-S225 PolarHBondContact O-N 3.49Å; E221-S225 PolarHBondContact O-OG 3.08Å
226E86.6Confident91.3Very high81 Ų8153.6 Ų53.638%0.37925%0.25SS..  trans-80.1139.1167.1-61.7177.8145.700109.8R228 K231E226-R228 PolarHBondContact O-N 3.2Å; E226-R228 VanDerWaalsContact O-N 3.15Å; E226-K231 IonicContact OE1-NZ 3.89Å; E226-K231 PolarHBondContact OE1-NZ 3.06Å; E226-K231 VanDerWaalsContact OE2-CD 3.25Å; E226-K231 WeakPolarHBondContact OE2-CD 3.4Å; E226-K231 IonicContact OE2-NZ 2.66Å; E226-K231 PolarHBondContact OE2-NZ 3.37Å
227N92.3Very high91.1Very high30 Ų3058 Ų5816%0.1628%0.277CS..  trans-75.7104170-173.9-47.7000109.3F211 T214 W229 V230 K231F211-N227 PolarHBondContact O-ND2 3.5Å; T214-N227 PolarHBondContact OG1-ND2 3.42Å; N227-W229 VanDerWaalsContact C-N 3.27Å; N227-W229 PolarHBondContact O-N 3Å; N227-W229 WeakPolarHBondContact OD1-CB 3.32Å; N227-W229 PolarHBondContact OD1-N 2.84Å; N227-W229 VanDerWaalsContact OD1-N 3.15Å; N227-V230 HydrophobicContact CB-CB 4.13Å; N227-V230 HydrophobicContact CB-CG2 4.02Å; N227-V230 PolarHBondContact O-N 3.36Å; N227-V230 PolarHBondContact OD1-N 3.22Å; N227-V230 VanDerWaalsContact OD1-N 3.13Å; N227-K231 PolarHBondContact O-N 2.89Å
228R93.8Very high91.2Very high137 Ų13757.8 Ų57.852%0.51728%0.276SS..Hα-helixtrans-60.8-33.4-174.9-59.9-179.8-169.3172.34113.4W119 E226 K231 F232W119-R228 HydrophobicContact CD2-CB 4.08Å; W119-R228 VanDerWaalsContact CE2-CB 3.5Å; W119-R228 HydrophobicContact CE3-CB 4.4Å; W119-R228 HydrophobicContact CH2-CB 3.73Å; W119-R228 WeakPolarHBondContact CH2-O 3.22Å; W119-R228 HydrophobicContact CZ2-CB 3.33Å; W119-R228 HydrophobicContact CZ3-CB 4.24Å; E226-R228 PolarHBondContact O-N 3.2Å; E226-R228 VanDerWaalsContact O-N 3.15Å; R228-K231 PolarHBondContact O-N 2.59Å; R228-F232 WeakPolarHBondContact O-CB 3.33Å; R228-F232 PolarHBondContact O-N 2.96Å
229W95.9Very high91.2Very high0 Ų057.9 Ų57.90%027%0.272CS..Hα-helixtrans-66.3-46.3177.5-55.790.7000110.7F109 F118 W119 A138 L141 L142 C210 F211 E213 N227 F233F109-W229 HydrophobicContact CE1-CZ2 4.12Å; F109-W229 AromaticContact CZ-CZ2 3.91Å; F109-W229 HydrophobicContact CZ-CZ2 3.91Å; F118-W229 HydrophobicContact CB-CH2 3.71Å; F118-W229 HydrophobicContact CB-CZ2 3.7Å; F118-W229 AromaticContact CD1-CH2 3.95Å; F118-W229 HydrophobicContact CD1-CH2 3.95Å; F118-W229 HydrophobicContact CD1-CZ2 4.41Å; F118-W229 HydrophobicContact CD2-CH2 4.29Å; F118-W229 AromaticContact CD2-CZ2 3.93Å; F118-W229 HydrophobicContact CD2-CZ2 3.93Å; F118-W229 AromaticContact CG-CH2 3.73Å; F118-W229 HydrophobicContact CG-CH2 3.73Å; F118-W229 AromaticContact CG-CZ2 3.77Å; F118-W229 HydrophobicContact CG-CZ2 3.77Å; W119-W229 HydrophobicContact CZ2-CB 4.36Å; W119-W229 AromaticContact CZ2-CD2 3.67Å; W119-W229 HydrophobicContact CZ2-CD2 3.67Å; W119-W229 AromaticContact CZ2-CE2 3.94Å; W119-W229 HydrophobicContact CZ2-CE3 4.14Å; W119-W229 AromaticContact CZ2-CG 3.75Å; W119-W229 HydrophobicContact CZ2-CG 3.75Å; W119-W229 AromaticContact NE1-CE2 3.84Å; W119-W229 AromaticContact NE1-NE1 3.64Å; A138-W229 HydrophobicContact CB-CD2 4.44Å; A138-W229 HydrophobicContact CB-CE3 3.9Å; A138-W229 HydrophobicContact CB-CH2 3.66Å; A138-W229 HydrophobicContact CB-CZ2 4.19Å; A138-W229 HydrophobicContact CB-CZ3 3.49Å; A138-W229 VanDerWaalsContact CB-CZ3 3.49Å; L141-W229 HydrophobicContact CD2-CZ3 4.41Å; L142-W229 HydrophobicContact CD1-CB 4.13Å; L142-W229 HydrophobicContact CD1-CE3 3.84Å; L142-W229 WeakPolarHBondContact CD1-O 3.4Å; L142-W229 HydrophobicContact CG-CE3 3.99Å; C210-W229 HydrophobicContact CB-CB 4.48Å; C210-W229 HydrophobicContact CB-CD2 3.81Å; C210-W229 HydrophobicContact CB-CE3 3.58Å; C210-W229 HydrophobicContact CB-CG 4.22Å; C210-W229 HydrophobicContact CB-CZ3 4.02Å; F211-W229 HydrophobicContact CD1-CB 3.68Å; F211-W229 HydrophobicContact CE1-CB 4.06Å; E213-W229 PolarHBondContact OE2-NE1 3.05Å; N227-W229 VanDerWaalsContact C-N 3.27Å; N227-W229 PolarHBondContact O-N 3Å; N227-W229 WeakPolarHBondContact OD1-CB 3.32Å; N227-W229 PolarHBondContact OD1-N 2.84Å; N227-W229 VanDerWaalsContact OD1-N 3.15Å; W229-F233 VanDerWaalsContact O-CB 3.27Å; W229-F233 WeakPolarHBondContact O-CB 3.43Å; W229-F233 PolarHBondContact O-N 3.15Å
230V96Very high91.7Very high15 Ų1554.9 Ų54.99%0.09126%0.258CS..Hα-helixtrans-62.8-47.2174.31780000110F211 N227 F232 F233 T234 I286 T287F211-V230 HydrophobicContact CB-CG2 4.13Å; F211-V230 HydrophobicContact CD1-CG2 3.69Å; F211-V230 HydrophobicContact CD2-CG2 3.94Å; F211-V230 HydrophobicContact CE1-CG2 4.03Å; F211-V230 HydrophobicContact CE2-CG2 4.25Å; F211-V230 HydrophobicContact CG-CG2 3.65Å; F211-V230 HydrophobicContact CZ-CG2 4.3Å; N227-V230 HydrophobicContact CB-CB 4.13Å; N227-V230 HydrophobicContact CB-CG2 4.02Å; N227-V230 PolarHBondContact O-N 3.36Å; N227-V230 PolarHBondContact OD1-N 3.22Å; N227-V230 VanDerWaalsContact OD1-N 3.13Å; V230-F232 PolarHBondContact O-N 2.86Å; V230-F233 PolarHBondContact O-N 3.15Å; V230-T234 HydrophobicContact CG1-CG2 4.36Å; V230-T234 PolarHBondContact O-N 3.24Å; V230-T234 PolarHBondContact O-OG1 3.37Å; V230-I286 HydrophobicContact CG1-CG2 4.5Å; V230-I286 HydrophobicContact CG2-CG2 3.63Å; V230-T287 HydrophobicContact CG1-CG2 4.3Å
231K94.5Very high92.2Very high64 Ų6448.8 Ų48.828%0.27823%0.23SC..Hα-helixtrans-56.9-46.5179.4-171.2162.7-174.3164.60112E226 N227 R228 S235E226-K231 IonicContact OE1-NZ 3.89Å; E226-K231 PolarHBondContact OE1-NZ 3.06Å; E226-K231 VanDerWaalsContact OE2-CD 3.25Å; E226-K231 WeakPolarHBondContact OE2-CD 3.4Å; E226-K231 IonicContact OE2-NZ 2.66Å; E226-K231 PolarHBondContact OE2-NZ 3.37Å; N227-K231 PolarHBondContact O-N 2.89Å; R228-K231 PolarHBondContact O-N 2.59Å; K231-S235 VanDerWaalsContact O-CB 3.3Å; K231-S235 WeakPolarHBondContact O-CB 3.12Å; K231-S235 PolarHBondContact O-N 2.88Å; K231-S235 VanDerWaalsContact O-N 3.12Å
232F95.1Very high92.5Very high14 Ų1447.9 Ų47.96%0.06123%0.227CC..Hα-helixtrans-63.6-49.3175-179.7-98000112.1W119 Q139 L142 R228 V230 T234 S235 V237W119-F232 HydrophobicContact CH2-CB 4.28Å; Q139-F232 HydrophobicContact CB-CD2 4.38Å; Q139-F232 HydrophobicContact CB-CE1 4.25Å; Q139-F232 HydrophobicContact CB-CE2 3.8Å; Q139-F232 HydrophobicContact CB-CZ 3.73Å; Q139-F232 VanDerWaalsContact CD-CE2 3.49Å; Q139-F232 HydrophobicContact CG-CD2 3.66Å; Q139-F232 HydrophobicContact CG-CE1 4.47Å; Q139-F232 HydrophobicContact CG-CE2 3.5Å; Q139-F232 HydrophobicContact CG-CG 4.21Å; Q139-F232 HydrophobicContact CG-CZ 3.94Å; L142-F232 HydrophobicContact CB-CD1 3.72Å; L142-F232 HydrophobicContact CB-CE1 3.74Å; L142-F232 HydrophobicContact CD1-CB 4.4Å; L142-F232 HydrophobicContact CD1-CD1 3.72Å; L142-F232 HydrophobicContact CG-CD1 4.39Å; R228-F232 WeakPolarHBondContact O-CB 3.33Å; R228-F232 PolarHBondContact O-N 2.96Å; V230-F232 PolarHBondContact O-N 2.86Å; F232-T234 PolarHBondContact O-N 3.19Å; F232-S235 WeakPolarHBondContact O-CB 3.47Å; F232-S235 PolarHBondContact O-N 2.88Å; F232-S235 PolarHBondContact O-OG 3.19Å; F232-V237 HydrophobicContact CE2-CB 4.03Å; F232-V237 HydrophobicContact CE2-CG1 3.74Å; F232-V237 HydrophobicContact CZ-CG1 4.29Å
233F97Very high92.9Very high0 Ų048 Ų480%023%0.228CC..Hα-helixtrans-58.7-34.8-179.6-177.4-96.8000112.9L142 I207 F211 W229 V230 N238 L244 I283 T287 F347L142-F233 HydrophobicContact CD1-CB 4.46Å; I207-F233 HydrophobicContact CD1-CE2 4.18Å; I207-F233 HydrophobicContact CG2-CD2 4.26Å; I207-F233 HydrophobicContact CG2-CE2 4.05Å; I207-F233 HydrophobicContact CG2-CZ 4.49Å; F211-F233 HydrophobicContact CE1-CB 4.02Å; F211-F233 HydrophobicContact CE1-CG 4.27Å; F211-F233 HydrophobicContact CE2-CD1 4.46Å; F211-F233 HydrophobicContact CZ-CB 3.84Å; F211-F233 AromaticContact CZ-CD1 3.73Å; F211-F233 HydrophobicContact CZ-CD1 3.73Å; F211-F233 HydrophobicContact CZ-CD2 4.16Å; F211-F233 HydrophobicContact CZ-CE1 4.27Å; F211-F233 AromaticContact CZ-CG 3.66Å; F211-F233 HydrophobicContact CZ-CG 3.66Å; W229-F233 VanDerWaalsContact O-CB 3.27Å; W229-F233 WeakPolarHBondContact O-CB 3.43Å; W229-F233 PolarHBondContact O-N 3.15Å; V230-F233 PolarHBondContact O-N 3.15Å; F233-N238 PolarHBondContact O-ND2 3.34Å; F233-L244 HydrophobicContact CE2-CD1 3.79Å; F233-L244 HydrophobicContact CZ-CD1 3.85Å; F233-I283 HydrophobicContact CE1-CG2 4.34Å; F233-T287 HydrophobicContact CD1-CG2 3.94Å; F233-T287 HydrophobicContact CE1-CG2 4.07Å; F233-F347 HydrophobicContact CD1-CE1 4.48Å; F233-F347 HydrophobicContact CD1-CZ 4.13Å; F233-F347 HydrophobicContact CE1-CE1 4.25Å; F233-F347 AromaticContact CE1-CE2 3.88Å; F233-F347 HydrophobicContact CE1-CE2 3.88Å; F233-F347 AromaticContact CE1-CZ 3.5Å; F233-F347 HydrophobicContact CE1-CZ 3.5Å; F233-F347 VanDerWaalsContact CE1-CZ 3.5Å; F233-F347 HydrophobicContact CZ-CZ 4.26Å
234T96.6Very high93.5Very high3 Ų345.2 Ų45.22%0.01822%0.215CC..THydrogen-bonded Turntrans-95.210.4176.363.90000114.2V230 F232 T287 N345 L346 F347V230-T234 HydrophobicContact CG1-CG2 4.36Å; V230-T234 PolarHBondContact O-N 3.24Å; V230-T234 PolarHBondContact O-OG1 3.37Å; F232-T234 PolarHBondContact O-N 3.19Å; T234-T287 HydrophobicContact CG2-CG2 3.86Å; T234-N345 WeakPolarHBondContact CB-OD1 3.41Å; T234-L346 VanDerWaalsContact O-CB 3.24Å; T234-L346 WeakPolarHBondContact O-CB 3.17Å; T234-L346 VanDerWaalsContact O-CG 3.29Å; T234-L346 WeakPolarHBondContact O-CG 3.24Å; T234-L346 PolarHBondContact O-N 3.21Å; T234-F347 HydrophobicContact CG2-CB 4.13Å; T234-F347 HydrophobicContact CG2-CD1 3.76Å; T234-F347 HydrophobicContact CG2-CD2 4.48Å; T234-F347 HydrophobicContact CG2-CE1 4.27Å; T234-F347 HydrophobicContact CG2-CG 3.88Å
235S94.7Very high94.1Very high16 Ų1636.2 Ų36.211%0.11218%0.181CC..SBendtrans-89.5166.1-178.973.20000113.3K231 F232 V237 N238K231-S235 VanDerWaalsContact O-CB 3.3Å; K231-S235 WeakPolarHBondContact O-CB 3.12Å; K231-S235 PolarHBondContact O-N 2.88Å; K231-S235 VanDerWaalsContact O-N 3.12Å; F232-S235 WeakPolarHBondContact O-CB 3.47Å; F232-S235 PolarHBondContact O-N 2.88Å; F232-S235 PolarHBondContact O-OG 3.19Å; S235-V237 PolarHBondContact O-N 2.95Å; S235-V237 WeakPolarHBondContact OG-CB 3.4Å; S235-V237 PolarHBondContact OG-N 2.85Å; S235-N238 PolarHBondContact O-N 3.45Å
236T93.7Very high94.8Very high79 Ų7934.3 Ų34.349%0.48517%0.168SC..THydrogen-bonded Turntrans-62.8-14.8169.147.30000114.3L346T236-L346 HydrophobicContact CG2-CD1 4Å; T236-L346 HydrophobicContact CG2-CD2 4.22Å; T236-L346 HydrophobicContact CG2-CG 4.48Å
237V91.8Very high95.3Very high93 Ų9330.4 Ų30.456%0.56415%0.15SC*.THydrogen-bonded Turntrans-75.8-28.4175.7-169.90000111.1F232 S235 R239F232-V237 HydrophobicContact CE2-CB 4.03Å; F232-V237 HydrophobicContact CE2-CG1 3.74Å; F232-V237 HydrophobicContact CZ-CG1 4.29Å; S235-V237 PolarHBondContact O-N 2.95Å; S235-V237 WeakPolarHBondContact OG-CB 3.4Å; S235-V237 PolarHBondContact OG-N 2.85Å; V237-R239 PolarHBondContact O-N 3.36Å; V237-R239 VanDerWaalsContact O-N 3.16Å
238N93.9Very high95.6Very high7 Ų729 Ų294%0.03714%0.142CC..  trans-78.798172.6-177.26.3000110.3F233 S235 H240 A241 L244F233-N238 PolarHBondContact O-ND2 3.34Å; S235-N238 PolarHBondContact O-N 3.45Å; N238-H240 PolarHBondContact O-N 2.68Å; N238-H240 WeakPolarHBondContact OD1-CB 3.19Å; N238-H240 PolarHBondContact OD1-N 2.64Å; N238-A241 HydrophobicContact CB-CB 4.37Å; N238-A241 WeakPolarHBondContact O-CB 3.5Å; N238-A241 PolarHBondContact O-N 3.19Å; N238-L244 WeakPolarHBondContact ND2-CD1 3.38Å
239R92.2Very high95.9Very high101 Ų10122.5 Ų22.538%0.38112%0.118SC..THydrogen-bonded Turntrans-53.4-23.7176.973.7-177.2-173.4118.1-0.4113.8D147 M170 H171 I173 V237D147-R239 IonicContact OD1-CZ 3.41Å; D147-R239 VanDerWaalsContact OD1-CZ 3.3Å; D147-R239 IonicContact OD1-NE 3.62Å; D147-R239 PolarHBondContact OD1-NE 3.36Å; D147-R239 VanDerWaalsContact OD1-NE 3.09Å; D147-R239 IonicContact OD1-NH2 3.46Å; D147-R239 PolarHBondContact OD1-NH2 3.11Å; M170-R239 PolarHBondContact O-NH1 3.49Å; M170-R239 PolarHBondContact O-NH2 2.94Å; H171-R239 PolarHBondContact O-NH1 3.4Å; I173-R239 PolarHBondContact O-NH1 3.14Å; V237-R239 PolarHBondContact O-N 3.36Å; V237-R239 VanDerWaalsContact O-N 3.16Å
240H95.7Very high96Very high4 Ų422.5 Ų22.52%0.01912%0.118CC..THydrogen-bonded Turntrans-92.40-178.1-57-69.1000114.5C146 D147 F150 S175 N238 L242 P243 L244C146-H240 HydrophobicContact CB-CB 4.19Å; D147-H240 IonicContact OD1-CD2 3.25Å; D147-H240 IonicContact OD1-CE1 2.67Å; D147-H240 IonicContact OD1-NE2 2.94Å; D147-H240 PolarHBondContact OD1-NE2 2.78Å; F150-H240 HydrophobicContact CD2-CB 4.35Å; F150-H240 AromaticContact CD2-ND1 3.61Å; F150-H240 HydrophobicContact CE2-CB 3.98Å; S175-H240 WeakPolarHBondContact CB-ND1 3.23Å; S175-H240 PolarHBondContact OG-CE1 2.91Å; S175-H240 PolarHBondContact OG-ND1 2.82Å; N238-H240 PolarHBondContact O-N 2.68Å; N238-H240 WeakPolarHBondContact OD1-CB 3.19Å; N238-H240 PolarHBondContact OD1-N 2.64Å; H240-L242 VanDerWaalsContact C-N 3.29Å; H240-L242 PolarHBondContact O-N 3.1Å; H240-L242 VanDerWaalsContact O-N 3.16Å; H240-P243 WeakPolarHBondContact O-CD 3.42Å; H240-P243 WeakPolarHBondContact O-CG 3.16Å; H240-L244 HydrophobicContact CB-CD1 3.64Å; H240-L244 HydrophobicContact CB-CG 3.94Å; H240-L244 VanDerWaalsContact O-CB 3.28Å; H240-L244 WeakPolarHBondContact O-CB 3.4Å; H240-L244 WeakPolarHBondContact O-CD1 3.38Å; H240-L244 WeakPolarHBondContact O-CG 3.49Å; H240-L244 PolarHBondContact O-N 3.22Å
241A96.1Very high96Very high2 Ų221.8 Ų21.82%0.01711%0.114CC..Hα-helixtrans-54.1-41.4-17100000113.7N238 F245 L346 F347N238-A241 HydrophobicContact CB-CB 4.37Å; N238-A241 WeakPolarHBondContact O-CB 3.5Å; N238-A241 PolarHBondContact O-N 3.19Å; A241-F245 VanDerWaalsContact O-CB 3.29Å; A241-F245 WeakPolarHBondContact O-CB 3.18Å; A241-F245 PolarHBondContact O-N 3.35Å; A241-L346 HydrophobicContact CB-CD1 4.03Å; A241-F347 HydrophobicContact CB-CE1 4.23Å; A241-F347 WeakPolarHBondContact O-CE1 3.37Å
242L95.9Very high96.2Very high55 Ų5518.8 Ų18.829%0.28810%0.101SC..Hα-helixtrans-69.4-55.6177.6179.160.5000113.5H240 L244 F245 A246 L324 Y350H240-L242 VanDerWaalsContact C-N 3.29Å; H240-L242 PolarHBondContact O-N 3.1Å; H240-L242 VanDerWaalsContact O-N 3.16Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 PolarHBondContact O-N 3.28Å; L242-F245 PolarHBondContact O-N 2.75Å; L242-A246 PolarHBondContact O-N 2.95Å; L242-L324 HydrophobicContact CD2-CD2 4Å; L242-Y350 HydrophobicContact CB-CE2 3.93Å; L242-Y350 HydrophobicContact CD1-CD1 4.2Å; L242-Y350 HydrophobicContact CD1-CD2 4.1Å; L242-Y350 HydrophobicContact CD1-CE1 4.1Å; L242-Y350 HydrophobicContact CD1-CE2 4Å; L242-Y350 HydrophobicContact CD1-CG 4.21Å
243P96Very high96.4Very high3 Ų318.2 Ų18.22%0.01910%0.098CC..Hα-helixtrans-65.6-27.4177.922.5-32.4000113.5F150 S175 I179 H240 S247F150-P243 HydrophobicContact CE1-CB 4.01Å; F150-P243 HydrophobicContact CZ-CB 3.89Å; F150-P243 HydrophobicContact CZ-CG 4.32Å; S175-P243 VanDerWaalsContact O-CB 3.26Å; S175-P243 WeakPolarHBondContact O-CB 3.42Å; I179-P243 HydrophobicContact CD1-CB 4.36Å; I179-P243 HydrophobicContact CG1-CB 3.86Å; H240-P243 WeakPolarHBondContact O-CD 3.42Å; H240-P243 WeakPolarHBondContact O-CG 3.16Å; P243-S247 WeakPolarHBondContact O-CB 3.37Å; P243-S247 PolarHBondContact O-N 3.24Å; P243-S247 PolarHBondContact O-OG 3.11Å
244L97.7Very high96.4Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-64.3-53.4168.6-73.1166.6000111.1C146 L149 F150 W180 F233 N238 H240 L242 A246 S247 L248 F347C146-L244 HydrophobicContact CB-CD1 4.18Å; L149-L244 HydrophobicContact CB-CD2 4.31Å; L149-L244 HydrophobicContact CD1-CD2 3.69Å; F150-L244 HydrophobicContact CE2-CD2 3.6Å; F150-L244 HydrophobicContact CE2-CG 3.74Å; F150-L244 HydrophobicContact CZ-CD2 3.85Å; F150-L244 HydrophobicContact CZ-CG 4.02Å; W180-L244 HydrophobicContact CZ2-CD2 4.32Å; F233-L244 HydrophobicContact CE2-CD1 3.79Å; F233-L244 HydrophobicContact CZ-CD1 3.85Å; N238-L244 WeakPolarHBondContact ND2-CD1 3.38Å; H240-L244 HydrophobicContact CB-CD1 3.64Å; H240-L244 HydrophobicContact CB-CG 3.94Å; H240-L244 VanDerWaalsContact O-CB 3.28Å; H240-L244 WeakPolarHBondContact O-CB 3.4Å; H240-L244 WeakPolarHBondContact O-CD1 3.38Å; H240-L244 WeakPolarHBondContact O-CG 3.49Å; H240-L244 PolarHBondContact O-N 3.22Å; L242-L244 VanDerWaalsContact C-N 3.28Å; L242-L244 PolarHBondContact O-N 3.28Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.27Å; L244-S247 PolarHBondContact O-N 3Å; L244-L248 HydrophobicContact CB-CD1 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CD1 3.5Å; L244-L248 WeakPolarHBondContact O-CG 3.47Å; L244-L248 PolarHBondContact O-N 3.29Å; L244-F347 HydrophobicContact CB-CZ 3.99Å
245F97.9Very high96.4Very high7 Ų720.1 Ų20.13%0.03111%0.112CC..Hα-helixtrans-53.7-48.1177.4170.3-95.9000111.7A241 L242 L249 L288 F347 Y350 M351 I354A241-F245 VanDerWaalsContact O-CB 3.29Å; A241-F245 WeakPolarHBondContact O-CB 3.18Å; A241-F245 PolarHBondContact O-N 3.35Å; L242-F245 PolarHBondContact O-N 2.75Å; F245-L249 HydrophobicContact CE1-CD2 4.2Å; F245-L249 HydrophobicContact CZ-CD2 4.05Å; F245-L249 VanDerWaalsContact O-CB 3.25Å; F245-L249 WeakPolarHBondContact O-CB 3.48Å; F245-L249 PolarHBondContact O-N 3.19Å; F245-L288 HydrophobicContact CE2-CD2 4.47Å; F245-F347 HydrophobicContact CB-CD1 4.15Å; F245-F347 HydrophobicContact CB-CD2 4.2Å; F245-F347 HydrophobicContact CB-CE1 4.04Å; F245-F347 HydrophobicContact CB-CE2 4.08Å; F245-F347 HydrophobicContact CB-CG 4.23Å; F245-F347 HydrophobicContact CB-CZ 3.99Å; F245-F347 HydrophobicContact CD2-CB 4.01Å; F245-F347 AromaticContact CD2-CD2 3.81Å; F245-F347 HydrophobicContact CD2-CD2 3.81Å; F245-F347 HydrophobicContact CD2-CE2 4.42Å; F245-F347 AromaticContact CD2-CG 3.86Å; F245-F347 HydrophobicContact CD2-CG 3.86Å; F245-F347 WeakPolarHBondContact CE2-O 3.48Å; F245-F347 HydrophobicContact CG-CG 4.49Å; F245-Y350 HydrophobicContact CB-CD2 4Å; F245-Y350 HydrophobicContact CD1-CD2 4.01Å; F245-Y350 HydrophobicContact CD1-CG 4.28Å; F245-Y350 HydrophobicContact CD2-CD2 4.49Å; F245-Y350 AromaticContact CG-CD2 3.91Å; F245-Y350 HydrophobicContact CG-CD2 3.91Å; F245-M351 HydrophobicContact CE2-CB 4.01Å; F245-M351 HydrophobicContact CE2-CE 3.89Å; F245-M351 HydrophobicContact CZ-CB 3.99Å; F245-M351 HydrophobicContact CZ-CE 3.79Å; F245-I354 HydrophobicContact CE1-CD1 4.23Å; F245-I354 HydrophobicContact CZ-CD1 4.07Å
246A97.6Very high96.3Very high9 Ų922.5 Ų22.57%0.07412%0.123CC..Hα-helixtrans-63.7-47.5178.100000112.2I179 L242 L244 L248 L249 N250I179-A246 HydrophobicContact CD1-CB 3.82Å; I179-A246 HydrophobicContact CG1-CB 4.3Å; I179-A246 HydrophobicContact CG2-CB 4.24Å; L242-A246 PolarHBondContact O-N 2.95Å; L244-A246 VanDerWaalsContact C-N 3.31Å; L244-A246 PolarHBondContact O-N 3.27Å; A246-L248 PolarHBondContact O-N 3.38Å; A246-L249 PolarHBondContact O-N 3.32Å; A246-N250 WeakPolarHBondContact O-CB 3.09Å; A246-N250 PolarHBondContact O-N 3.31Å; A246-N250 PolarHBondContact O-ND2 2.77Å
247S97.9Very high96.2Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-64.4-43-178.7-60.60000112.7I179 W180 P243 L244 V251I179-S247 WeakPolarHBondContact CA-OG 3.5Å; W180-S247 VanDerWaalsContact CD2-CB 3.47Å; W180-S247 PolarHBondContact N-OG 2.71Å; W180-S247 VanDerWaalsContact N-OG 3.11Å; P243-S247 WeakPolarHBondContact O-CB 3.37Å; P243-S247 PolarHBondContact O-N 3.24Å; P243-S247 PolarHBondContact O-OG 3.11Å; L244-S247 PolarHBondContact O-N 3Å; S247-V251 WeakPolarHBondContact O-CB 3.34Å; S247-V251 WeakPolarHBondContact O-CG1 3.36Å; S247-V251 PolarHBondContact O-N 3.28Å
248L98.6Very high95.9Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-64.5-45.7177-66.8165.6000111W180 L204 L244 A246 V252 A280 I283 L284 F347W180-L248 HydrophobicContact CH2-CD2 4.21Å; W180-L248 HydrophobicContact CZ3-CD2 4.04Å; L204-L248 HydrophobicContact CD1-CD2 4.15Å; L204-L248 HydrophobicContact CD2-CD2 4.11Å; L244-L248 HydrophobicContact CB-CD1 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.44Å; L244-L248 WeakPolarHBondContact O-CD1 3.5Å; L244-L248 WeakPolarHBondContact O-CG 3.47Å; L244-L248 PolarHBondContact O-N 3.29Å; A246-L248 PolarHBondContact O-N 3.38Å; L248-V252 WeakPolarHBondContact O-CG2 3.17Å; L248-V252 PolarHBondContact O-N 3.25Å; L248-A280 HydrophobicContact CD2-CB 3.52Å; L248-I283 HydrophobicContact CD1-CG2 3.9Å; L248-L284 HydrophobicContact CB-CD1 4.22Å; L248-L284 HydrophobicContact CB-CD2 3.97Å; L248-L284 HydrophobicContact CB-CG 3.99Å; L248-F347 HydrophobicContact CD1-CE2 3.9Å; L248-F347 HydrophobicContact CD1-CZ 4.35Å
249L98.4Very high95.5Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-66-43.6178.9-176.161.2000111.7V184 F245 A246 C253 M351 I354 I363V184-L249 HydrophobicContact CB-CD2 4.2Å; V184-L249 HydrophobicContact CG1-CD2 4.43Å; V184-L249 HydrophobicContact CG2-CD2 3.83Å; V184-L249 HydrophobicContact CG2-CG 4.4Å; F245-L249 HydrophobicContact CE1-CD2 4.2Å; F245-L249 HydrophobicContact CZ-CD2 4.05Å; F245-L249 VanDerWaalsContact O-CB 3.25Å; F245-L249 WeakPolarHBondContact O-CB 3.48Å; F245-L249 PolarHBondContact O-N 3.19Å; A246-L249 PolarHBondContact O-N 3.32Å; L249-C253 VanDerWaalsContact O-CB 3.32Å; L249-C253 WeakPolarHBondContact O-CB 3.32Å; L249-C253 PolarHBondContact O-N 3.24Å; L249-C253 PolarHBondContact O-SG 3.35Å; L249-M351 HydrophobicContact CD1-CE 3.97Å; L249-M351 HydrophobicContact CD2-CE 3.94Å; L249-I354 HydrophobicContact CD2-CD1 4.04Å; L249-I363 HydrophobicContact CD2-CD1 4.25Å; L249-I363 HydrophobicContact CD2-CG1 4.49Å
250N98.1Very high95Very high0 Ų022.5 Ų22.50%014%0.138CC..Hα-helixtrans-73.6-38.9-176-66.9-11.3000112.2Q181 V184 A246 V252 C253 A254 F362Q181-N250 HydrophobicContact CB-CB 4.04Å; Q181-N250 HydrophobicContact CG-CB 4.32Å; Q181-N250 VanDerWaalsContact O-CB 3.27Å; Q181-N250 WeakPolarHBondContact O-CB 3.48Å; Q181-N250 PolarHBondContact O-ND2 2.71Å; Q181-N250 VanDerWaalsContact O-ND2 3.17Å; V184-N250 PolarHBondContact N-ND2 3.21Å; V184-N250 PolarHBondContact N-OD1 2.67Å; V184-N250 PolarHBondContact O-ND2 3.05Å; V184-N250 VanDerWaalsContact O-ND2 3.1Å; A246-N250 WeakPolarHBondContact O-CB 3.09Å; A246-N250 PolarHBondContact O-N 3.31Å; A246-N250 PolarHBondContact O-ND2 2.77Å; N250-V252 VanDerWaalsContact C-N 3.32Å; N250-V252 PolarHBondContact O-N 3.42Å; N250-C253 PolarHBondContact O-N 2.84Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 3.02Å; N250-F362 HydrophobicContact CB-CZ 4.44Å; N250-F362 WeakPolarHBondContact OD1-CE1 3.33Å
251V97.4Very high94.3Very high1 Ų124.4 Ų24.41%0.00616%0.159CC..Hα-helixtrans-63.7-38.9176.578.40000111.5Q181 S247 Y255 R273 L276 V277 A280Q181-V251 HydrophobicContact CB-CB 4.45Å; S247-V251 WeakPolarHBondContact O-CB 3.34Å; S247-V251 WeakPolarHBondContact O-CG1 3.36Å; S247-V251 PolarHBondContact O-N 3.28Å; V251-Y255 WeakPolarHBondContact O-CB 3.49Å; V251-Y255 PolarHBondContact O-N 3.13Å; V251-R273 HydrophobicContact CG2-CG 4.4Å; V251-L276 HydrophobicContact CG2-CD2 4.15Å; V251-L276 HydrophobicContact CG2-CG 4.42Å; V251-V277 HydrophobicContact CG2-CG2 4.09Å; V251-A280 HydrophobicContact CG1-CB 3.87Å
252V98.4Very high93.7Very high1 Ų128 Ų281%0.00618%0.18CC..Hα-helixtrans-68.9-47.4174.9174.60000111.7L248 N250 V277 A280 L281 L284 L393 L396L248-V252 WeakPolarHBondContact O-CG2 3.17Å; L248-V252 PolarHBondContact O-N 3.25Å; N250-V252 VanDerWaalsContact C-N 3.32Å; N250-V252 PolarHBondContact O-N 3.42Å; V252-V277 HydrophobicContact CG2-CG1 4.23Å; V252-A280 HydrophobicContact CG2-CB 4.01Å; V252-L281 HydrophobicContact CG1-CB 4.46Å; V252-L281 HydrophobicContact CG1-CD1 4.27Å; V252-L281 HydrophobicContact CG2-CB 3.94Å; V252-L284 HydrophobicContact CG2-CD1 4.2Å; V252-L393 HydrophobicContact CG1-CD2 4.45Å; V252-L396 HydrophobicContact CG1-CD2 4.28Å
253C98Very high93.2Very high1 Ų128.7 Ų28.71%0.00719%0.188CC..Hα-helixtrans-77.1-21.4-174.9-63.90000113.9L249 N250 F362 G366 R369L249-C253 VanDerWaalsContact O-CB 3.32Å; L249-C253 WeakPolarHBondContact O-CB 3.32Å; L249-C253 PolarHBondContact O-N 3.24Å; L249-C253 PolarHBondContact O-SG 3.35Å; N250-C253 PolarHBondContact O-N 2.84Å; C253-F362 HydrophobicContact CB-CD1 3.92Å; C253-F362 HydrophobicContact CB-CE1 3.37Å; C253-F362 HydrophobicContact CB-CE2 4.44Å; C253-F362 HydrophobicContact CB-CZ 3.67Å; C253-G366 WeakPolarHBondContact O-CA 3.16Å; C253-R369 PolarHBondContact O-NH2 3.37Å
254A96.9Very high92.8Very high31 Ų3132.4 Ų32.426%0.25620%0.202SC..Hα-helixtrans-89-19174.600000114Q181 N250 D256 F362 R369Q181-A254 HydrophobicContact CG-CB 3.54Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 3.02Å; A254-D256 PolarHBondContact O-N 3.38Å; A254-F362 HydrophobicContact CB-CE2 4.18Å; A254-F362 HydrophobicContact CB-CZ 4.1Å; A254-R369 PolarHBondContact O-NH2 3.15Å
255Y96.6Very high92.2Very high12 Ų1235.7 Ų35.75%0.04722%0.22CC..  trans-57129.5-175.2179-127.8000113V251 P257 D271 R273 E274 V277 R369 L370 V387 M389V251-Y255 WeakPolarHBondContact O-CB 3.49Å; V251-Y255 PolarHBondContact O-N 3.13Å; Y255-P257 HydrophobicContact CE1-CB 3.97Å; Y255-P257 HydrophobicContact CE1-CG 4.39Å; Y255-D271 WeakPolarHBondContact CE2-OD2 3.41Å; Y255-D271 PolarHBondContact OH-OD2 2.85Å; Y255-R273 HydrophobicContact CD2-CG 4.36Å; Y255-E274 HydrophobicContact CE1-CG 4.26Å; Y255-E274 WeakPolarHBondContact OH-CB 3.45Å; Y255-E274 WeakPolarHBondContact OH-CG 3.44Å; Y255-V277 HydrophobicContact CD1-CB 4.33Å; Y255-V277 HydrophobicContact CD1-CG1 3.83Å; Y255-V277 HydrophobicContact CD1-CG2 4.21Å; Y255-V277 HydrophobicContact CD2-CG2 4.07Å; Y255-V277 HydrophobicContact CG-CB 4.38Å; Y255-V277 HydrophobicContact CG-CG1 4.14Å; Y255-V277 HydrophobicContact CG-CG2 3.76Å; Y255-R369 VanDerWaalsContact O-CZ 3.28Å; Y255-R369 PolarHBondContact O-NE 2.79Å; Y255-R369 PolarHBondContact O-NH2 2.86Å; Y255-L370 HydrophobicContact CD1-CD1 4.34Å; Y255-L370 HydrophobicContact CD1-CD2 3.6Å; Y255-L370 HydrophobicContact CE1-CD2 4.19Å; Y255-L370 HydrophobicContact CG-CD2 4.43Å; Y255-V387 HydrophobicContact CE1-CG1 4.05Å; Y255-M389 HydrophobicContact CD1-CE 4.47Å; Y255-M389 HydrophobicContact CE1-CE 4.03Å
256D93.5Very high91.6Very high66 Ų6638 Ų3835%0.35323%0.231SC..  trans-124.2107.3172.4179.218.3000110.5A254 V258 G259A254-D256 PolarHBondContact O-N 3.38Å; D256-V258 PolarHBondContact O-N 3.43Å; D256-V258 WeakPolarHBondContact OD1-CB 3.41Å; D256-V258 PolarHBondContact OD1-N 3.02Å; D256-G259 VanDerWaalsContact CG-N 3.33Å; D256-G259 WeakPolarHBondContact OD2-CA 3.33Å; D256-G259 PolarHBondContact OD2-N 2.95Å
257P91.4Very high91.1Very high12 Ų1243.3 Ų43.38%0.07826%0.257CS..SBendtrans-72.4-8.6178.131-37.6000113.6Y255 L370 N373 K385 V387Y255-P257 HydrophobicContact CE1-CB 3.97Å; Y255-P257 HydrophobicContact CE1-CG 4.39Å; P257-L370 HydrophobicContact CG-CD2 4.08Å; P257-N373 HydrophobicContact CG-CB 4.23Å; P257-N373 WeakPolarHBondContact CG-ND2 3.22Å; P257-K385 HydrophobicContact CB-CB 4.47Å; P257-K385 HydrophobicContact CB-CG 3.97Å; P257-K385 VanDerWaalsContact O-CB 3.25Å; P257-K385 WeakPolarHBondContact O-CB 3.36Å; P257-V387 HydrophobicContact CB-CG1 3.45Å; P257-V387 VanDerWaalsContact CB-CG1 3.45Å; P257-V387 HydrophobicContact CG-CG1 3.61Å
258V86.3Confident90.5Very high52 Ų5250.7 Ų50.732%0.31529%0.293SS..SBendtrans-95.2-38.3179-179.10000111.2D256 L260 G261D256-V258 PolarHBondContact O-N 3.43Å; D256-V258 WeakPolarHBondContact OD1-CB 3.41Å; D256-V258 PolarHBondContact OD1-N 3.02Å; V258-L260 PolarHBondContact O-N 3.5Å; V258-G261 PolarHBondContact O-N 3.14Å
259G84.6Confident89.8Confident49 Ų4957.1 Ų57.151%0.50532%0.322SS..THydrogen-bonded Turntrans57.9-125.3176.800000111.8D256 G261D256-G259 VanDerWaalsContact CG-N 3.33Å; D256-G259 WeakPolarHBondContact OD2-CA 3.33Å; D256-G259 PolarHBondContact OD2-N 2.95Å; G259-G261 PolarHBondContact O-N 2.92Å
260L81.7Confident89.1Confident168 Ų16862.9 Ų62.988%0.8836%0.362SS*.THydrogen-bonded Turntrans-66.3-4177.7-61.9179.1000114.4V258 V262V258-L260 PolarHBondContact O-N 3.5Å; L260-V262 HydrophobicContact CB-CG2 4.11Å; L260-V262 PolarHBondContact O-N 3.37Å; L260-V262 VanDerWaalsContact O-N 3.17Å
261G81Confident88.7Confident44 Ų4465.7 Ų65.745%0.45438%0.377SS..  trans70.78.1177.200000115.3V258 G259 P263V258-G261 PolarHBondContact O-N 3.14Å; G259-G261 PolarHBondContact O-N 2.92Å; G261-P263 WeakPolarHBondContact O-CD 3.35Å
262V84.3Confident88.3Confident77 Ų7767.8 Ų67.847%0.46739%0.392SS..  trans-62.9124.2179.4175.40000110.1L260 Y264 N265L260-V262 HydrophobicContact CB-CG2 4.11Å; L260-V262 PolarHBondContact O-N 3.37Å; L260-V262 VanDerWaalsContact O-N 3.17Å; V262-Y264 PolarHBondContact O-N 2.98Å; V262-N265 HydrophobicContact CB-CB 4.03Å; V262-N265 HydrophobicContact CG1-CB 4.25Å; V262-N265 VanDerWaalsContact O-CB 3.27Å; V262-N265 WeakPolarHBondContact O-CB 3.47Å; V262-N265 PolarHBondContact O-N 2.89Å
263P85.4Confident88.2Confident70 Ų7068.9 Ų68.946%0.45540%0.396SS..THydrogen-bonded Turntrans-54.5132.6179.3-29.937.2000113.1G261 N265 L380G261-P263 WeakPolarHBondContact O-CD 3.35Å; P263-N265 PolarHBondContact O-N 2.73Å; P263-N265 VanDerWaalsContact O-N 3.09Å; P263-L380 HydrophobicContact CB-CD1 3.81Å; P263-L380 HydrophobicContact CG-CD1 4.02Å
264Y87.3Confident88Confident81 Ų8170 Ų7032%0.31840%0.401SS..THydrogen-bonded Turntrans61.610177.5-50.9-72.5000115.8V262 H266 L267 L380 P381 S383V262-Y264 PolarHBondContact O-N 2.98Å; Y264-H266 PolarHBondContact O-N 3.31Å; Y264-H266 VanDerWaalsContact O-N 3.13Å; Y264-L267 HydrophobicContact CD1-CD1 3.84Å; Y264-L267 HydrophobicContact CG-CD1 4.45Å; Y264-L267 WeakPolarHBondContact O-CB 3.38Å; Y264-L267 PolarHBondContact O-N 3.08Å; Y264-L380 HydrophobicContact CE2-CD1 4.1Å; Y264-P381 WeakPolarHBondContact CE1-O 3.35Å; Y264-P381 PolarHBondContact OH-O 3.01Å; Y264-S383 VanDerWaalsContact CE1-CA 3.48Å; Y264-S383 PolarHBondContact N-O 3.21Å
265N85.6Confident87.9Confident68 Ų6871 Ų7136%0.36440%0.404SS..Hα-helixtrans-51.6-40.2178.6-169.178.1000112.7V262 P263 L267 M268 F269V262-N265 HydrophobicContact CB-CB 4.03Å; V262-N265 HydrophobicContact CG1-CB 4.25Å; V262-N265 VanDerWaalsContact O-CB 3.27Å; V262-N265 WeakPolarHBondContact O-CB 3.47Å; V262-N265 PolarHBondContact O-N 2.89Å; P263-N265 PolarHBondContact O-N 2.73Å; P263-N265 VanDerWaalsContact O-N 3.09Å; N265-L267 PolarHBondContact O-N 3.09Å; N265-L267 VanDerWaalsContact O-N 3.17Å; N265-M268 PolarHBondContact O-N 2.84Å; N265-F269 WeakPolarHBondContact O-CD2 3.32Å; N265-F269 PolarHBondContact O-N 3.25Å; N265-F269 VanDerWaalsContact OD1-CD2 3.28Å; N265-F269 WeakPolarHBondContact OD1-CD2 3.37Å; N265-F269 WeakPolarHBondContact OD1-CE2 3.49Å
266H85.2Confident88Confident56 Ų5670.4 Ų70.426%0.25940%0.402SS..Hα-helixtrans-70.4-2.7178.874.8-86.1000115.6Y264 G382 S383 K385Y264-H266 PolarHBondContact O-N 3.31Å; Y264-H266 VanDerWaalsContact O-N 3.13Å; H266-G382 PolarHBondContact CE1-O 3.35Å; H266-S383 PolarHBondContact CE1-O 2.85Å; H266-S383 PolarHBondContact ND1-O 3.2Å; H266-K385 HydrophobicContact CB-CB 3.83Å; H266-K385 HydrophobicContact CB-CD 4.05Å; H266-K385 HydrophobicContact CB-CG 4.37Å; H266-K385 PolarHBondContact CE1-N 3.13Å; H266-K385 PolarHBondContact ND1-N 2.73Å
267L86.6Confident88.2Confident120 Ų12067.2 Ų67.263%0.62839%0.385SS*.Hα-helixtrans-98.2-16.9169.8-56.9-177.5000112.1Y264 N265Y264-L267 HydrophobicContact CD1-CD1 3.84Å; Y264-L267 HydrophobicContact CG-CD1 4.45Å; Y264-L267 WeakPolarHBondContact O-CB 3.38Å; Y264-L267 PolarHBondContact O-N 3.08Å; N265-L267 PolarHBondContact O-N 3.09Å; N265-L267 VanDerWaalsContact O-N 3.17Å
268M84.6Confident88.5Confident155 Ų15568.8 Ų68.876%0.76439%0.391SS*.Hα-helixtrans-103.4-29.6-179-62.6-63.5178.700112.5N265N265-M268 PolarHBondContact O-N 2.84Å
269F84.5Confident89Confident135 Ų13566.4 Ų66.459%0.59238%0.377SS*.SBendtrans-122.6130-178.8-56.5-78.7000111N265N265-F269 WeakPolarHBondContact O-CD2 3.32Å; N265-F269 PolarHBondContact O-N 3.25Å; N265-F269 VanDerWaalsContact OD1-CD2 3.28Å; N265-F269 WeakPolarHBondContact OD1-CD2 3.37Å; N265-F269 WeakPolarHBondContact OD1-CE2 3.49Å
270S84.2Confident89.7Confident122 Ų12264.1 Ų64.185%0.85335%0.353SS*.  trans-70.7126.3172.3-58.80000110.7S272S270-S272 PolarHBondContact O-N 2.85Å
271D89.8Confident90.5Very high59 Ų5956.1 Ų56.132%0.31631%0.311SS..  trans-76.9106.3169.3-170.6-28.3000109.2Y255 R273 E274 P275Y255-D271 WeakPolarHBondContact CE2-OD2 3.41Å; Y255-D271 PolarHBondContact OH-OD2 2.85Å; D271-R273 VanDerWaalsContact C-N 3.28Å; D271-R273 WeakPolarHBondContact OD1-CA 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.43Å; D271-R273 PolarHBondContact OD1-N 3.29Å; D271-E274 HydrophobicContact CB-CB 4.26Å; D271-E274 PolarHBondContact OD1-N 3Å; D271-P275 WeakPolarHBondContact O-CD 3.33Å
272S89.4Confident91.3Very high45 Ų4554.1 Ų54.132%0.31529%0.29SS..SBendtrans-78.1-11.517762.60000113.5A194 S270A194-S272 WeakPolarHBondContact CB-OG 3.33Å; S270-S272 PolarHBondContact O-N 2.85Å
273R94.4Very high92Very high24 Ų2450.5 Ų50.59%0.09127%0.268CS..SBendtrans-95.4-32.4-175.5-165.773.699.9153.819.5111.9Q181 D197 V251 Y255 D271 P275 L276 V277Q181-R273 VanDerWaalsContact OE1-NH2 3.07Å; D197-R273 IonicContact OD1-CZ 3.54Å; D197-R273 IonicContact OD1-NE 3.5Å; D197-R273 IonicContact OD1-NH1 3.53Å; D197-R273 PolarHBondContact OD1-NH1 3Å; D197-R273 WeakPolarHBondContact OD2-CD 3.39Å; D197-R273 IonicContact OD2-CZ 3.58Å; D197-R273 IonicContact OD2-NE 2.71Å; D197-R273 PolarHBondContact OD2-NE 3.39Å; D197-R273 IonicContact OD2-NH1 2.76Å; D197-R273 PolarHBondContact OD2-NH1 2.58Å; V251-R273 HydrophobicContact CG2-CG 4.4Å; Y255-R273 HydrophobicContact CD2-CG 4.36Å; D271-R273 VanDerWaalsContact C-N 3.28Å; D271-R273 WeakPolarHBondContact OD1-CA 3.31Å; D271-R273 WeakPolarHBondContact OD1-CB 3.43Å; D271-R273 PolarHBondContact OD1-N 3.29Å; R273-P275 VanDerWaalsContact C-CD 3.5Å; R273-L276 WeakPolarHBondContact O-CB 3.39Å; R273-L276 PolarHBondContact O-N 3.04Å; R273-L276 VanDerWaalsContact O-N 3.11Å; R273-V277 HydrophobicContact CG-CG2 4.11Å; R273-V277 WeakPolarHBondContact O-CG2 3.36Å; R273-V277 PolarHBondContact O-N 3.37Å
274E95.2Very high92.6Very high25 Ų2547.1 Ų47.112%0.11725%0.247CC..Hα-helixtrans-51.3-46177.3-163.8178.1-141.300113.1Y255 D271 L276 V277 E278 K385 M389Y255-E274 HydrophobicContact CE1-CG 4.26Å; Y255-E274 WeakPolarHBondContact OH-CB 3.45Å; Y255-E274 WeakPolarHBondContact OH-CG 3.44Å; D271-E274 HydrophobicContact CB-CB 4.26Å; D271-E274 PolarHBondContact OD1-N 3Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.35Å; E274-V277 PolarHBondContact O-N 3.17Å; E274-E278 WeakPolarHBondContact O-CG 3.38Å; E274-E278 PolarHBondContact O-N 3.18Å; E274-K385 VanDerWaalsContact CD-CE 3.4Å; E274-K385 WeakPolarHBondContact OE1-CE 3.48Å; E274-K385 IonicContact OE1-NZ 3.71Å; E274-K385 PolarHBondContact OE1-NZ 3.29Å; E274-K385 WeakPolarHBondContact OE2-CE 3.19Å; E274-K385 IonicContact OE2-NZ 2.77Å; E274-K385 PolarHBondContact OE2-NZ 3.29Å; E274-M389 HydrophobicContact CG-CE 3.82Å
275P95.4Very high93.1Very high50 Ų5043.3 Ų43.333%0.32523%0.231SC..Hα-helixtrans-64.3-35178.9-22.535.7000113.7T201 D271 R273 V279T201-P275 HydrophobicContact CG2-CB 3.97Å; D271-P275 WeakPolarHBondContact O-CD 3.33Å; R273-P275 VanDerWaalsContact C-CD 3.5Å; P275-V279 PolarHBondContact O-N 3.41Å
276L97.4Very high93.6Very high0 Ų040.6 Ų40.60%022%0.217CC..Hα-helixtrans-67.1-43.1174.8176.558.2000110.8W180 D197 R200 T201 L204 V251 R273 E274 V279 A280W180-L276 HydrophobicContact CZ3-CD1 4.27Å; D197-L276 HydrophobicContact CB-CD2 4.13Å; D197-L276 WeakPolarHBondContact OD1-CD2 3.01Å; R200-L276 HydrophobicContact CB-CD1 3.68Å; R200-L276 HydrophobicContact CB-CD2 4.31Å; T201-L276 WeakPolarHBondContact OG1-CA 3.14Å; T201-L276 WeakPolarHBondContact OG1-CB 3.42Å; T201-L276 PolarHBondContact OG1-N 3.29Å; L204-L276 HydrophobicContact CD1-CD1 3.47Å; L204-L276 VanDerWaalsContact CD1-CD1 3.47Å; V251-L276 HydrophobicContact CG2-CD2 4.15Å; V251-L276 HydrophobicContact CG2-CG 4.42Å; R273-L276 WeakPolarHBondContact O-CB 3.39Å; R273-L276 PolarHBondContact O-N 3.04Å; R273-L276 VanDerWaalsContact O-N 3.11Å; E274-L276 VanDerWaalsContact C-N 3.33Å; E274-L276 PolarHBondContact O-N 3.35Å; L276-V279 WeakPolarHBondContact O-CG1 3.43Å; L276-A280 WeakPolarHBondContact O-CB 3.49Å; L276-A280 PolarHBondContact O-N 2.98Å
277V97.8Very high94.1Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-64.4-41.2177.9171.80000111.1V251 V252 Y255 R273 E274 L281 M389V251-V277 HydrophobicContact CG2-CG2 4.09Å; V252-V277 HydrophobicContact CG2-CG1 4.23Å; Y255-V277 HydrophobicContact CD1-CB 4.33Å; Y255-V277 HydrophobicContact CD1-CG1 3.83Å; Y255-V277 HydrophobicContact CD1-CG2 4.21Å; Y255-V277 HydrophobicContact CD2-CG2 4.07Å; Y255-V277 HydrophobicContact CG-CB 4.38Å; Y255-V277 HydrophobicContact CG-CG1 4.14Å; Y255-V277 HydrophobicContact CG-CG2 3.76Å; R273-V277 HydrophobicContact CG-CG2 4.11Å; R273-V277 WeakPolarHBondContact O-CG2 3.36Å; R273-V277 PolarHBondContact O-N 3.37Å; E274-V277 PolarHBondContact O-N 3.17Å; V277-L281 WeakPolarHBondContact O-CB 3.27Å; V277-L281 PolarHBondContact O-N 3.15Å; V277-M389 HydrophobicContact CG1-CE 4.13Å; V277-M389 HydrophobicContact CG1-SD 3.73Å
278E97.2Very high94.6Very high44 Ų4432.2 Ų32.221%0.20618%0.175CC..Hα-helixtrans-61.6-48.4177.4-73-170.7148.400112.3E274 Q282 M389 R944E274-E278 WeakPolarHBondContact O-CG 3.38Å; E274-E278 PolarHBondContact O-N 3.18Å; E278-Q282 VanDerWaalsContact O-CG 3.32Å; E278-Q282 WeakPolarHBondContact O-CG 3.19Å; E278-Q282 PolarHBondContact O-N 2.9Å; E278-Q282 VanDerWaalsContact O-N 3.14Å; E278-M389 HydrophobicContact CG-CB 4.46Å; E278-M389 HydrophobicContact CG-CE 3.63Å; E278-R944 IonicContact OE1-CZ 2.67Å; E278-R944 IonicContact OE1-NH1 3.77Å; E278-R944 PolarHBondContact OE1-NH1 3.24Å; E278-R944 IonicContact OE1-NH2 3.8Å; E278-R944 PolarHBondContact OE1-NH2 2.95Å; E278-R944 IonicContact OE2-NH1 2.68Å; E278-R944 IonicContact OE2-NH2 2.77Å
279V97.9Very high94.7Very high3 Ų326.5 Ų26.52%0.01815%0.146CC..Hα-helixtrans-72-36.5179.471.60000112.2T201 L204 K205 L208 P275 L276 L281 Q282 I283T201-V279 HydrophobicContact CG2-CG1 4.32Å; L204-V279 HydrophobicContact CB-CB 4.46Å; L204-V279 HydrophobicContact CB-CG1 3.7Å; L204-V279 HydrophobicContact CB-CG2 3.88Å; L204-V279 HydrophobicContact CD1-CG1 3.99Å; K205-V279 HydrophobicContact CG-CG2 4.01Å; L208-V279 HydrophobicContact CB-CG2 4.39Å; L208-V279 HydrophobicContact CD2-CG2 3.96Å; P275-V279 PolarHBondContact O-N 3.41Å; L276-V279 WeakPolarHBondContact O-CG1 3.43Å; V279-L281 PolarHBondContact O-N 2.86Å; V279-Q282 PolarHBondContact O-N 3.16Å; V279-I283 HydrophobicContact CG2-CD1 4.27Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 3.4Å
280A98.5Very high94.3Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-62.7-43.2175.800000112.1L248 V251 V252 L276 I283 L284L248-A280 HydrophobicContact CD2-CB 3.52Å; V251-A280 HydrophobicContact CG1-CB 3.87Å; V252-A280 HydrophobicContact CG2-CB 4.01Å; L276-A280 WeakPolarHBondContact O-CB 3.49Å; L276-A280 PolarHBondContact O-N 2.98Å; A280-I283 PolarHBondContact O-N 2.99Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 3.41Å
281L98.6Very high93.4Very high0 Ų019.2 Ų19.20%011%0.105CC..Hα-helixtrans-63.4-41.5175.4173.359000112V252 V277 V279 L284 C285 M389 E392 L393 L396V252-L281 HydrophobicContact CG1-CB 4.46Å; V252-L281 HydrophobicContact CG1-CD1 4.27Å; V252-L281 HydrophobicContact CG2-CB 3.94Å; V277-L281 WeakPolarHBondContact O-CB 3.27Å; V277-L281 PolarHBondContact O-N 3.15Å; V279-L281 PolarHBondContact O-N 2.86Å; L281-L284 PolarHBondContact O-N 3.09Å; L281-C285 PolarHBondContact O-N 3.09Å; L281-C285 PolarHBondContact O-SG 3.45Å; L281-M389 HydrophobicContact CD2-CB 3.91Å; L281-M389 HydrophobicContact CD2-CG 4.09Å; L281-M389 HydrophobicContact CD2-SD 4.16Å; L281-E392 HydrophobicContact CD1-CB 4.44Å; L281-E392 HydrophobicContact CD2-CB 3.67Å; L281-E392 HydrophobicContact CG-CB 3.76Å; L281-L393 HydrophobicContact CD1-CD2 4.27Å; L281-L393 HydrophobicContact CD2-CD2 3.93Å; L281-L393 HydrophobicContact CD2-CG 3.81Å; L281-L396 HydrophobicContact CD1-CB 3.73Å; L281-L396 HydrophobicContact CD1-CD2 3.5Å; L281-L396 HydrophobicContact CD1-CG 4.18Å
282Q98Very high91.9Very high3 Ų320.4 Ų20.41%0.01411%0.109CC..Hα-helixtrans-64-42.2176.1-71.7173.59.700111.6L208 E278 V279 C285 I286 E392 I941 N945L208-Q282 HydrophobicContact CD1-CB 4.49Å; L208-Q282 HydrophobicContact CD2-CB 4.21Å; E278-Q282 VanDerWaalsContact O-CG 3.32Å; E278-Q282 WeakPolarHBondContact O-CG 3.19Å; E278-Q282 PolarHBondContact O-N 2.9Å; E278-Q282 VanDerWaalsContact O-N 3.14Å; V279-Q282 PolarHBondContact O-N 3.16Å; Q282-C285 PolarHBondContact O-N 2.94Å; Q282-I286 WeakPolarHBondContact O-CG1 3.34Å; Q282-I286 PolarHBondContact O-N 3.06Å; Q282-E392 HydrophobicContact CG-CG 4.21Å; Q282-I941 HydrophobicContact CB-CD1 4.18Å; Q282-I941 HydrophobicContact CB-CG1 4.16Å; Q282-I941 HydrophobicContact CG-CD1 4.43Å; Q282-I941 HydrophobicContact CG-CG1 3.9Å; Q282-N945 PolarHBondContact OE1-ND2 2.9Å
283I98.5Very high89.7Confident0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-63.7-42.7174.6-75.1169.8000111.9L204 I207 L208 F211 F233 L248 V279 A280 C285 I286 T287L204-I283 HydrophobicContact CB-CD1 3.84Å; L204-I283 HydrophobicContact CD2-CD1 3.6Å; L204-I283 HydrophobicContact CG-CD1 4.26Å; I207-I283 HydrophobicContact CG2-CD1 4.33Å; L208-I283 HydrophobicContact CB-CD1 4.39Å; L208-I283 HydrophobicContact CB-CG1 4.26Å; L208-I283 HydrophobicContact CD1-CG1 4.27Å; F211-I283 HydrophobicContact CE2-CG1 4.41Å; F211-I283 HydrophobicContact CE2-CG2 4.27Å; F233-I283 HydrophobicContact CE1-CG2 4.34Å; L248-I283 HydrophobicContact CD1-CG2 3.9Å; V279-I283 HydrophobicContact CG2-CD1 4.27Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 3.4Å; A280-I283 PolarHBondContact O-N 2.99Å; I283-C285 VanDerWaalsContact C-N 3.34Å; I283-C285 PolarHBondContact O-N 2.97Å; I283-I286 PolarHBondContact O-N 3.12Å; I283-T287 HydrophobicContact CG2-CG2 4.17Å; I283-T287 WeakPolarHBondContact O-CB 3.39Å; I283-T287 WeakPolarHBondContact O-CG2 3.27Å; I283-T287 PolarHBondContact O-N 3.2Å; I283-T287 PolarHBondContact O-OG1 2.82Å
284L98.2Very high86.8Confident0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-61.2-39.8174.1-74.6171.2000112.4L248 V252 A280 L281 I286 T287 L288 L396L248-L284 HydrophobicContact CB-CD1 4.22Å; L248-L284 HydrophobicContact CB-CD2 3.97Å; L248-L284 HydrophobicContact CB-CG 3.99Å; V252-L284 HydrophobicContact CG2-CD1 4.2Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 3.41Å; L281-L284 PolarHBondContact O-N 3.09Å; L284-I286 VanDerWaalsContact C-N 3.29Å; L284-I286 PolarHBondContact O-N 2.88Å; L284-T287 WeakPolarHBondContact CA-OG1 3.4Å; L284-L288 VanDerWaalsContact O-CB 3.28Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.45Å; L284-L288 PolarHBondContact O-N 3.24Å; L284-L396 HydrophobicContact CB-CD1 4.04Å; L284-L396 HydrophobicContact CD1-CD2 4.43Å
285C97.4Very high83.6Confident0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-65.1-32.3178.8-66.80000112.9L281 Q282 I283 E392 V395 L937L281-C285 PolarHBondContact O-N 3.09Å; L281-C285 PolarHBondContact O-SG 3.45Å; Q282-C285 PolarHBondContact O-N 2.94Å; I283-C285 VanDerWaalsContact C-N 3.34Å; I283-C285 PolarHBondContact O-N 2.97Å; C285-E392 PolarHBondContact SG-O 3.32Å; C285-E392 VanDerWaalsContact SG-O 3.41Å; C285-V395 HydrophobicContact CB-CG1 4.19Å; C285-L937 HydrophobicContact CB-CD1 3.6Å; C285-L937 HydrophobicContact CB-CD2 3.68Å; C285-L937 HydrophobicContact CB-CG 4.31Å; C285-L937 WeakPolarHBondContact O-CD2 3.46Å
286I96.6Very high80.2Confident11 Ų1137.2 Ų37.26%0.05621%0.205CC..Hα-helixtrans-77.9-52.4175.3-66161.4000110.7L208 F211 V230 Q282 I283 L284 L288 E289 L937 W938 I941L208-I286 HydrophobicContact CD1-CD1 3.32Å; F211-I286 HydrophobicContact CD2-CD1 4.33Å; F211-I286 HydrophobicContact CD2-CG2 4.14Å; V230-I286 HydrophobicContact CG1-CG2 4.5Å; V230-I286 HydrophobicContact CG2-CG2 3.63Å; Q282-I286 WeakPolarHBondContact O-CG1 3.34Å; Q282-I286 PolarHBondContact O-N 3.06Å; I283-I286 PolarHBondContact O-N 3.12Å; L284-I286 VanDerWaalsContact C-N 3.29Å; L284-I286 PolarHBondContact O-N 2.88Å; I286-L288 PolarHBondContact O-N 2.86Å; I286-E289 VanDerWaalsContact O-CB 3.31Å; I286-E289 WeakPolarHBondContact O-CB 3.27Å; I286-E289 PolarHBondContact O-N 2.83Å; I286-L937 HydrophobicContact CG1-CD2 4.02Å; I286-W938 HydrophobicContact CD1-CH2 3.4Å; I286-W938 VanDerWaalsContact CD1-CH2 3.4Å; I286-W938 HydrophobicContact CD1-CZ2 3.57Å; I286-W938 HydrophobicContact CD1-CZ3 4.03Å; I286-W938 HydrophobicContact CG1-CH2 4.32Å; I286-W938 HydrophobicContact CG1-CZ2 4Å; I286-W938 HydrophobicContact CG2-CZ2 4.41Å; I286-I941 HydrophobicContact CD1-CD1 3.79Å; I286-I941 HydrophobicContact CG1-CD1 4.16Å
287T96.8Very high76.7Confident0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-68.6-15.8-174.851.50000113.8F211 V230 F233 T234 I283 L284 N345 F347F211-T287 HydrophobicContact CE2-CG2 4.04Å; F211-T287 HydrophobicContact CZ-CG2 4.46Å; V230-T287 HydrophobicContact CG1-CG2 4.3Å; F233-T287 HydrophobicContact CD1-CG2 3.94Å; F233-T287 HydrophobicContact CE1-CG2 4.07Å; T234-T287 HydrophobicContact CG2-CG2 3.86Å; I283-T287 HydrophobicContact CG2-CG2 4.17Å; I283-T287 WeakPolarHBondContact O-CB 3.39Å; I283-T287 WeakPolarHBondContact O-CG2 3.27Å; I283-T287 PolarHBondContact O-N 3.2Å; I283-T287 PolarHBondContact O-OG1 2.82Å; L284-T287 WeakPolarHBondContact CA-OG1 3.4Å; T287-N345 PolarHBondContact O-ND2 2.82Å; T287-N345 PolarHBondContact O-OD1 2.75Å; T287-F347 HydrophobicContact CG2-CD2 4.23Å; T287-F347 HydrophobicContact CG2-CE2 4.35Å; T287-F347 WeakPolarHBondContact OG1-CD2 3.18Å
288L95.2Very high73.2Confident0 Ų047.9 Ų47.90%027%0.272CS..THydrogen-bonded Turntrans-99.115.5171.2-61.2173.3000113.6F245 L284 I286 F347 V348 M351 L396 R399F245-L288 HydrophobicContact CE2-CD2 4.47Å; L284-L288 VanDerWaalsContact O-CB 3.28Å; L284-L288 WeakPolarHBondContact O-CB 3.44Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.45Å; L284-L288 PolarHBondContact O-N 3.24Å; I286-L288 PolarHBondContact O-N 2.86Å; L288-F347 HydrophobicContact CD2-CB 4.09Å; L288-F347 WeakPolarHBondContact CD2-O 3.46Å; L288-V348 HydrophobicContact CD2-CG2 4.23Å; L288-M351 HydrophobicContact CD1-CE 3.92Å; L288-M351 HydrophobicContact CD1-CG 4.49Å; L288-M351 HydrophobicContact CD2-CB 3.85Å; L288-M351 HydrophobicContact CD2-CG 4.22Å; L288-L396 HydrophobicContact CD1-CD1 3.85Å; L288-R399 HydrophobicContact CB-CB 4.07Å; L288-R399 HydrophobicContact CB-CG 4.46Å; L288-R399 WeakPolarHBondContact O-CD 3.34Å
289E88.5Confident69.9Low35 Ų3556.2 Ų56.216%0.16430%0.303CS..SBendtrans-68.5124.5162.9177.9139-110.600109.7I286 R399 T930 R934I286-E289 VanDerWaalsContact O-CB 3.31Å; I286-E289 WeakPolarHBondContact O-CB 3.27Å; I286-E289 PolarHBondContact O-N 2.83Å; E289-R399 VanDerWaalsContact CD-NH2 3.32Å; E289-R399 IonicContact OE1-CZ 3.85Å; E289-R399 IonicContact OE1-NH2 2.73Å; E289-R399 PolarHBondContact OE1-NH2 2.93Å; E289-T930 VanDerWaalsContact OE1-CG2 3.24Å; E289-T930 WeakPolarHBondContact OE1-CG2 3.29Å; E289-R934 WeakPolarHBondContact OE2-CD 3.42Å; E289-R934 WeakPolarHBondContact OE2-CG 3.38Å
290P74.5Confident66.3Low30 Ų3061.2 Ų61.220%0.19534%0.338CS..PPolyproline II helixtrans-73.2130.4-179.728.9-33.9000110.9H292P290-H292 PolarHBondContact O-N 2.93Å; P290-H292 PolarHBondContact O-ND1 3.25Å
291D66.7Low62.8Low74 Ų7468.6 Ų68.640%0.39638%0.378SS..PPolyproline II helixtrans-61.7127.4-178.2-60.1-64.1000112.2M293 N345D291-M293 PolarHBondContact O-N 3.02Å; D291-N345 WeakPolarHBondContact OD2-CB 3.33Å
292H57.8Low59.4Low84 Ų8473.8 Ų73.839%0.38942%0.421SS..  trans-86.150.9-176.1-81.87.1000113.3H223 P290 I294 T930H223-H292 AromaticContact CE1-CD2 3.9Å; P290-H292 PolarHBondContact O-N 2.93Å; P290-H292 PolarHBondContact O-ND1 3.25Å; H292-I294 PolarHBondContact O-N 3.26Å; H292-T930 PolarHBondContact CE1-OG1 3.02Å; H292-T930 WeakPolarHBondContact NE2-CB 3.35Å; H292-T930 WeakPolarHBondContact NE2-CG2 3.31Å; H292-T930 PolarHBondContact NE2-OG1 3.3Å
293M42.7Very low56.1Low134 Ų13478.2 Ų78.266%0.6645%0.452SS*.  trans-61.9132.6158.5-78.5-60.7111.700109.6D291D291-M293 PolarHBondContact O-N 3.02Å
294I33.5Very low52.6Low150 Ų15087.6 Ų87.677%0.76949%0.493SS*.  trans-54.6129.1-174.5-61.5170.9000108.9H292 S296H292-I294 PolarHBondContact O-N 3.26Å; I294-S296 PolarHBondContact O-N 2.88Å
295P28.1Very low49.3Very low116 Ų11697.1 Ų97.175%0.75353%0.529SS*.  trans-60.3112.2-178.424.3-34.1000109.7
296S23.7Very low45.9Very low98 Ų98103.1 Ų103.169%0.68556%0.561SS**  trans-55.5135.5173.7-46.20000109.1I294 T298I294-S296 PolarHBondContact O-N 2.88Å; S296-T298 PolarHBondContact O-N 3.05Å
297P24.4Very low42.5Very low119 Ų119109.7 Ų109.777%0.77360%0.596SS**SBendtrans-64.9131.9175.526.8-32.9000109.3
298T24.7Very low39Very low105 Ų105117.5 Ų117.564%0.64464%0.638SS**  trans70.9138.4-168.5750000114.3S296S296-T298 PolarHBondContact O-N 3.05Å
299Y27.5Very low36Very low218 Ų218123.3 Ų123.386%0.85568%0.679SS**  cis-118126.510-75.6-101.7000112.9
300S22.9Very low33Very low108 Ų108127 Ų12776%0.75571%0.708SS**  trans-108.1152.5156.9-70.90000108.7
301N25.4Very low31Very low156 Ų156134.9 Ų134.983%0.83474%0.742SS**  trans76.261.4-177.4-51.8-27.3000116.7S303N301-S303 PolarHBondContact O-N 3.42Å
302A27.2Very low29.1Very low109 Ų109136.1 Ų136.190%0.90176%0.757SS**  trans-79.394137.600000107.6F304A302-F304 PolarHBondContact O-N 3.1Å
303S28.3Very low27.8Very low96 Ų96141 Ų14167%0.67178%0.779SS**  trans-71.9124.5179.942.40000110.7N301 R305N301-S303 PolarHBondContact O-N 3.42Å; S303-R305 PolarHBondContact O-N 3.07Å
304F25.5Very low27Very low196 Ų196140.3 Ų140.386%0.8679%0.787SS**  trans-6799.9168.4-176.4-91.3000108.9A302A302-F304 PolarHBondContact O-N 3.1Å
305R27.3Very low26.8Very low200 Ų200139.1 Ų139.176%0.75579%0.791SS**  trans-140.8133.2174-120.3-169.7157.3143.71.6110.9S303S303-R305 PolarHBondContact O-N 3.07Å
306D27.4Very low26.7Very low126 Ų126138.3 Ų138.367%0.67479%0.788SS**  trans6175.8151-47.1-29.8000117N308D306-N308 PolarHBondContact O-N 2.91Å; D306-N308 VanDerWaalsContact O-N 3.09Å
307L24.3Very low26.7Very low149 Ų149141.3 Ų141.378%0.7880%0.796SS**  trans-62.6102.1145.4-82.383.1000108.1
308N24.3Very low26.9Very low164 Ų164142.2 Ų142.288%0.87780%0.799SS**  trans-174.676.6148.7-99.2-15.1000112.1D306D306-N308 PolarHBondContact O-N 2.91Å; D306-N308 VanDerWaalsContact O-N 3.09Å
309S30.7Very low26.9Very low123 Ų123143.8 Ų143.886%0.8680%0.804SS**  trans-148.4111.1153.151.60000110
310S27Very low26.9Very low113 Ų113142 Ų14279%0.7980%0.803SS**  trans-84.5123.5174.352.20000110.1
311H32.5Very low27.1Very low195 Ų195143.8 Ų143.890%0.90380%0.8SS**  trans-144.9139.5145-110.1-73.2000111.1
312S26.5Very low27.3Very low100 Ų100141.2 Ų141.270%0.69979%0.785SS**  trans-81133.1-174.951.80000112.4
313H30.6Very low27.2Very low187 Ų187140.6 Ų140.687%0.86678%0.775SS**  trans-131.5135.8145.5-95.7-82.1000109.2
314S26.4Very low27.4Very low118 Ų118141.2 Ų141.283%0.82577%0.77SS**  trans-70.6127.2175.550.60000110.5
315C27.5Very low27.5Very low126 Ų126138.7 Ų138.785%0.85177%0.765SS**  trans-112.5139.1161.1-157.40000108.2
316S26.6Very low27.6Very low99 Ų99132.8 Ų132.869%0.69277%0.767SS**  trans-85.6159.4177.645.80000111.4V318S316-V318 PolarHBondContact O-N 2.88Å
317D24.4Very low27.6Very low160 Ų160131.8 Ų131.886%0.85677%0.765SS**  trans-61127-174.9-47.4-90.2000113.2
318V28.4Very low27.6Very low138 Ų138128.1 Ų128.184%0.83676%0.764SS**  trans-148.7110.7154.1-106.70000108S316 E320S316-V318 PolarHBondContact O-N 2.88Å; V318-E320 PolarHBondContact O-N 2.96Å; V318-E320 VanDerWaalsContact O-N 3.16Å
319D25.1Very low27.8Very low138 Ų138129.7 Ų129.774%0.73877%0.768SS**  trans-66.7103172.7-88.8-66.4000110.4Q321D319-Q321 HydrophobicContact CB-CG 4.21Å; D319-Q321 PolarHBondContact O-N 2.75Å
320E27.7Very low27.7Very low181 Ų181130.6 Ų130.685%0.84677%0.769SS**  trans-77.461.2163.5-160.5179.7174.500110V318 L322V318-E320 PolarHBondContact O-N 2.96Å; V318-E320 VanDerWaalsContact O-N 3.16Å; E320-L322 PolarHBondContact O-N 3.45Å
321Q26.5Very low27.7Very low146 Ų146130.9 Ų130.968%0.68277%0.771SS**  trans-66.9113.1167.2-77.7-17929.100108.7D319 S323D319-Q321 HydrophobicContact CB-CG 4.21Å; D319-Q321 PolarHBondContact O-N 2.75Å; Q321-S323 VanDerWaalsContact C-N 3.26Å; Q321-S323 PolarHBondContact O-N 2.87Å
322L29.4Very low27.4Very low101 Ų101132.9 Ų132.953%0.52977%0.77SS.*  trans-66.286170.9-80161.3000110.4E320 L324 R356E320-L322 PolarHBondContact O-N 3.45Å; L322-L324 PolarHBondContact O-N 3.49Å; L322-R356 PolarHBondContact O-NH2 3.4Å
323S26Very low27.5Very low97 Ų97135.6 Ų135.668%0.67878%0.777SS**  trans-77.9107.6165.855.90000109.6Q321 N325Q321-S323 VanDerWaalsContact C-N 3.26Å; Q321-S323 PolarHBondContact O-N 2.87Å; S323-N325 PolarHBondContact O-N 3.27Å
324L32.4Very low27.4Very low108 Ų108132.3 Ų132.357%0.56578%0.775SS**  trans-71.482.6162.9-77.9161000108.7G185 L242 L322G185-L324 WeakPolarHBondContact O-CD1 3.37Å; L242-L324 HydrophobicContact CD2-CD2 4Å; L322-L324 PolarHBondContact O-N 3.49Å
325N26.3Very low27.4Very low143 Ų143129.7 Ų129.777%0.76577%0.767SS**  trans-162.2116166.5-96.5-19.6000107.4S323S323-N325 PolarHBondContact O-N 3.27Å
326G29.8Very low27.4Very low77 Ų77131.7 Ų131.779%0.79477%0.769SS**  trans-167.838.3-166.600000114.5G328G326-G328 PolarHBondContact O-N 3.29Å
327T27.2Very low27.7Very low104 Ų104129.2 Ų129.264%0.63876%0.76SS**  trans-68.6118.7177.6400000112D174D174-T327 HydrophobicContact CB-CG2 3.73Å; D174-T327 WeakPolarHBondContact OD2-CG2 3.08Å
328G25.3Very low28.2Very low73 Ų73127 Ų12775%0.75375%0.747SS**  trans57.7102.2150.500000119.3G326G326-G328 PolarHBondContact O-N 3.29Å
329M28.1Very low28.5Very low196 Ų196123.8 Ų123.897%0.96674%0.735SS**  trans-147.4131.5138.3-121.6-173.9-175.600112.4
330T27.3Very low28.9Very low143 Ų143126.2 Ų126.288%0.87773%0.734SS**  trans-81.2128.9-179.352.50000111.8
331S28.1Very low29.3Very low119 Ų119121.5 Ų121.583%0.83272%0.715SS**  trans-149.1130.6162-168.40000112.3
332R26.6Very low30.2Very low236 Ų236118 Ų11889%0.89171%0.707SS**  trans-92.1104.8174.7-69.6163.3111.8161.72.3108.9
333N27.5Very low31.9Very low158 Ų158119.4 Ų119.485%0.84571%0.711SS**  trans165.8113.4144.6-89.2-21.2000112.8
334S28.4Very low34.3Very low117 Ų117119.7 Ų119.782%0.81870%0.703SS**  -178.7157.1124.1-810000110.7
335G26.6Very low37.2Very low64 Ų64115 Ų11566%0.6668%0.678SS**  trans-92.9157.7-167.200000116.2G337G335-G337 VanDerWaalsContact C-N 3.25Å; G335-G337 PolarHBondContact O-N 3.04Å
336N27.8Very low40.5Very low168 Ų168109.1 Ų109.190%0.89865%0.646SS**SBendtrans60.64.1157.5-64.712.2000119.3
337G32.5Very low43.7Very low47 Ų47105.4 Ų105.449%0.48561%0.609SS.*SBendtrans-81.8-47.1170.200000113.6G335 A339G335-G337 VanDerWaalsContact C-N 3.25Å; G335-G337 PolarHBondContact O-N 3.04Å; G337-A339 PolarHBondContact O-N 2.8Å
338D34.7Very low46.9Very low112 Ų112102 Ų10260%0.59959%0.587SS**G310 helixtrans-82.5-16.8-154-54.5-60.2000115.9W340 N341 S342D338-W340 VanDerWaalsContact C-N 3.25Å; D338-W340 PolarHBondContact O-N 3.11Å; D338-N341 PolarHBondContact O-N 3.41Å; D338-S342 PolarHBondContact O-N 2.8Å
339A34.8Very low50.2Low71 Ų7199.6 Ų99.659%0.58756%0.557SS**G310 helixtrans-54.4-41-176.500000112.7G337 N341 S342G337-A339 PolarHBondContact O-N 2.8Å; A339-N341 PolarHBondContact O-N 2.86Å; A339-S342 PolarHBondContact O-N 2.9Å
340W33Very low53.5Low189 Ų18993 Ų9372%0.71652%0.522SS*.G310 helixtrans-71.4-25179.8-62.697.5000114.1D338D338-W340 VanDerWaalsContact C-N 3.25Å; D338-W340 PolarHBondContact O-N 3.11Å
341N37.1Very low56.8Low83 Ų8386.2 Ų86.244%0.44448%0.481SS..THydrogen-bonded Turntrans-77.5-25.6174.8-84.8-33.7000111.8D338 A339 E343D338-N341 PolarHBondContact O-N 3.41Å; A339-N341 PolarHBondContact O-N 2.86Å; N341-E343 PolarHBondContact O-N 3.34Å
342S46.2Very low60Low73 Ų7382.8 Ų82.851%0.5146%0.457SS..THydrogen-bonded Turntrans-73.7-13.1-178.6-165.70000114.1D338 A339D338-S342 PolarHBondContact O-N 2.8Å; A339-S342 PolarHBondContact O-N 2.9Å
343E63.7Low63.3Low130 Ų13079 Ų7961%0.60744%0.442SS*.THydrogen-bonded Turntrans-103.3-9.9-178.1-62.9-166.5135.200114N341N341-E343 PolarHBondContact O-N 3.34Å
344M77.9Confident66.6Low103 Ų10372.2 Ų72.251%0.50741%0.406SS..SBendtrans-90130-176.1-65.9-166.9-177.300112.9L346M344-L346 PolarHBondContact O-N 3.43Å; M344-L346 VanDerWaalsContact O-N 3.09Å
345N92.6Very high69.8Low10 Ų1070.5 Ų70.55%0.05339%0.385CS..  trans-54.1112.1167.1173.3-23.9000111.1T234 T287 D291 F347 V348 N349T234-N345 WeakPolarHBondContact CB-OD1 3.41Å; T287-N345 PolarHBondContact O-ND2 2.82Å; T287-N345 PolarHBondContact O-OD1 2.75Å; D291-N345 WeakPolarHBondContact OD2-CB 3.33Å; N345-F347 VanDerWaalsContact C-N 3.33Å; N345-F347 PolarHBondContact O-N 2.85Å; N345-F347 WeakPolarHBondContact OD1-CB 3.41Å; N345-F347 PolarHBondContact OD1-N 3.39Å; N345-V348 HydrophobicContact CB-CB 4.43Å; N345-V348 HydrophobicContact CB-CG2 4.41Å; N345-V348 PolarHBondContact O-N 2.93Å; N345-V348 PolarHBondContact OD1-N 2.75Å; N345-V348 VanDerWaalsContact OD1-N 3.08Å; N345-N349 PolarHBondContact O-N 3.43Å; N345-N349 VanDerWaalsContact O-N 3.09Å
346L95.2Very high73.1Confident18 Ų1872.6 Ų72.69%0.09437%0.373CS..Hα-helixtrans-68.2-28.8-176.4-66.9179.5000113.1T234 T236 A241 M344 N349 Y350T234-L346 VanDerWaalsContact O-CB 3.24Å; T234-L346 WeakPolarHBondContact O-CB 3.17Å; T234-L346 VanDerWaalsContact O-CG 3.29Å; T234-L346 WeakPolarHBondContact O-CG 3.24Å; T234-L346 PolarHBondContact O-N 3.21Å; T236-L346 HydrophobicContact CG2-CD1 4Å; T236-L346 HydrophobicContact CG2-CD2 4.22Å; T236-L346 HydrophobicContact CG2-CG 4.48Å; A241-L346 HydrophobicContact CB-CD1 4.03Å; M344-L346 PolarHBondContact O-N 3.43Å; M344-L346 VanDerWaalsContact O-N 3.09Å; L346-N349 WeakPolarHBondContact O-CB 3.3Å; L346-N349 PolarHBondContact O-N 2.94Å; L346-Y350 HydrophobicContact CB-CD2 4.35Å; L346-Y350 HydrophobicContact CB-CE2 3.79Å; L346-Y350 WeakPolarHBondContact O-CB 3.16Å; L346-Y350 WeakPolarHBondContact O-CD2 3.45Å; L346-Y350 PolarHBondContact O-N 3.41Å
347F96.8Very high76.3Confident0 Ų069.7 Ų69.70%036%0.357CS..Hα-helixtrans-68-42.4179.4-8143.4000110.4F233 T234 A241 L244 F245 L248 T287 L288 N345 N349 M351F233-F347 HydrophobicContact CD1-CE1 4.48Å; F233-F347 HydrophobicContact CD1-CZ 4.13Å; F233-F347 HydrophobicContact CE1-CE1 4.25Å; F233-F347 AromaticContact CE1-CE2 3.88Å; F233-F347 HydrophobicContact CE1-CE2 3.88Å; F233-F347 AromaticContact CE1-CZ 3.5Å; F233-F347 HydrophobicContact CE1-CZ 3.5Å; F233-F347 VanDerWaalsContact CE1-CZ 3.5Å; F233-F347 HydrophobicContact CZ-CZ 4.26Å; T234-F347 HydrophobicContact CG2-CB 4.13Å; T234-F347 HydrophobicContact CG2-CD1 3.76Å; T234-F347 HydrophobicContact CG2-CD2 4.48Å; T234-F347 HydrophobicContact CG2-CE1 4.27Å; T234-F347 HydrophobicContact CG2-CG 3.88Å; A241-F347 HydrophobicContact CB-CE1 4.23Å; A241-F347 WeakPolarHBondContact O-CE1 3.37Å; L244-F347 HydrophobicContact CB-CZ 3.99Å; F245-F347 HydrophobicContact CB-CD1 4.15Å; F245-F347 HydrophobicContact CB-CD2 4.2Å; F245-F347 HydrophobicContact CB-CE1 4.04Å; F245-F347 HydrophobicContact CB-CE2 4.08Å; F245-F347 HydrophobicContact CB-CG 4.23Å; F245-F347 HydrophobicContact CB-CZ 3.99Å; F245-F347 HydrophobicContact CD2-CB 4.01Å; F245-F347 AromaticContact CD2-CD2 3.81Å; F245-F347 HydrophobicContact CD2-CD2 3.81Å; F245-F347 HydrophobicContact CD2-CE2 4.42Å; F245-F347 AromaticContact CD2-CG 3.86Å; F245-F347 HydrophobicContact CD2-CG 3.86Å; F245-F347 WeakPolarHBondContact CE2-O 3.48Å; F245-F347 HydrophobicContact CG-CG 4.49Å; L248-F347 HydrophobicContact CD1-CE2 3.9Å; L248-F347 HydrophobicContact CD1-CZ 4.35Å; T287-F347 HydrophobicContact CG2-CD2 4.23Å; T287-F347 HydrophobicContact CG2-CE2 4.35Å; T287-F347 WeakPolarHBondContact OG1-CD2 3.18Å; L288-F347 HydrophobicContact CD2-CB 4.09Å; L288-F347 WeakPolarHBondContact CD2-O 3.46Å; N345-F347 VanDerWaalsContact C-N 3.33Å; N345-F347 PolarHBondContact O-N 2.85Å; N345-F347 WeakPolarHBondContact OD1-CB 3.41Å; N345-F347 PolarHBondContact OD1-N 3.39Å; F347-N349 VanDerWaalsContact C-N 3.34Å; F347-M351 VanDerWaalsContact O-CB 3.23Å; F347-M351 WeakPolarHBondContact O-CB 3.18Å; F347-M351 PolarHBondContact O-N 3.08Å
348V95.6Very high79.3Confident31 Ų3173 Ų7319%0.18836%0.36CS..Hα-helixtrans-63.5-41171.2174.40000110.8L288 N345 M351 S352L288-V348 HydrophobicContact CD2-CG2 4.23Å; N345-V348 HydrophobicContact CB-CB 4.43Å; N345-V348 HydrophobicContact CB-CG2 4.41Å; N345-V348 PolarHBondContact O-N 2.93Å; N345-V348 PolarHBondContact OD1-N 2.75Å; N345-V348 VanDerWaalsContact OD1-N 3.08Å; V348-M351 PolarHBondContact O-N 3.15Å; V348-S352 WeakPolarHBondContact O-CB 3.3Å; V348-S352 PolarHBondContact O-N 3.45Å
349N94.6Very high82.3Confident24 Ų2468.6 Ų68.613%0.12834%0.336CS..Hα-helixtrans-61-53.6177.4-160.2-21.2000111.4N345 L346 F347 M351 S352 R353N345-N349 PolarHBondContact O-N 3.43Å; N345-N349 VanDerWaalsContact O-N 3.09Å; L346-N349 WeakPolarHBondContact O-CB 3.3Å; L346-N349 PolarHBondContact O-N 2.94Å; F347-N349 VanDerWaalsContact C-N 3.34Å; N349-M351 PolarHBondContact O-N 2.85Å; N349-S352 PolarHBondContact O-N 3.47Å; N349-S352 PolarHBondContact O-OG 2.97Å; N349-R353 WeakPolarHBondContact O-CG 3.32Å; N349-R353 PolarHBondContact O-N 3.38Å; N349-R353 VanDerWaalsContact O-N 3.09Å; N349-R353 PolarHBondContact OD1-NE 3.17Å; N349-R353 PolarHBondContact OD1-NH2 3.43Å
350Y96.3Very high85.3Confident57 Ų5765.4 Ų65.422%0.22431%0.309CS..Hα-helixtrans-58-48.8175.9-59.1-37.1000111.6L242 F245 L346 S352 R353 I354L242-Y350 HydrophobicContact CB-CE2 3.93Å; L242-Y350 HydrophobicContact CD1-CD1 4.2Å; L242-Y350 HydrophobicContact CD1-CD2 4.1Å; L242-Y350 HydrophobicContact CD1-CE1 4.1Å; L242-Y350 HydrophobicContact CD1-CE2 4Å; L242-Y350 HydrophobicContact CD1-CG 4.21Å; F245-Y350 HydrophobicContact CB-CD2 4Å; F245-Y350 HydrophobicContact CD1-CD2 4.01Å; F245-Y350 HydrophobicContact CD1-CG 4.28Å; F245-Y350 HydrophobicContact CD2-CD2 4.49Å; F245-Y350 AromaticContact CG-CD2 3.91Å; F245-Y350 HydrophobicContact CG-CD2 3.91Å; L346-Y350 HydrophobicContact CB-CD2 4.35Å; L346-Y350 HydrophobicContact CB-CE2 3.79Å; L346-Y350 WeakPolarHBondContact O-CB 3.16Å; L346-Y350 WeakPolarHBondContact O-CD2 3.45Å; L346-Y350 PolarHBondContact O-N 3.41Å; Y350-S352 VanDerWaalsContact C-N 3.25Å; Y350-S352 PolarHBondContact O-N 3.1Å; Y350-R353 PolarHBondContact O-N 3.09Å; Y350-I354 PolarHBondContact O-N 2.93Å
351M96.8Very high88.3Confident1 Ų158 Ų581%0.00529%0.288CS..Hα-helixtrans-58.5-36.2177.7-174.855.773.500112.4F245 L249 L288 F347 V348 N349 I354 I400 C403 N404F245-M351 HydrophobicContact CE2-CB 4.01Å; F245-M351 HydrophobicContact CE2-CE 3.89Å; F245-M351 HydrophobicContact CZ-CB 3.99Å; F245-M351 HydrophobicContact CZ-CE 3.79Å; L249-M351 HydrophobicContact CD1-CE 3.97Å; L249-M351 HydrophobicContact CD2-CE 3.94Å; L288-M351 HydrophobicContact CD1-CE 3.92Å; L288-M351 HydrophobicContact CD1-CG 4.49Å; L288-M351 HydrophobicContact CD2-CB 3.85Å; L288-M351 HydrophobicContact CD2-CG 4.22Å; F347-M351 VanDerWaalsContact O-CB 3.23Å; F347-M351 WeakPolarHBondContact O-CB 3.18Å; F347-M351 PolarHBondContact O-N 3.08Å; V348-M351 PolarHBondContact O-N 3.15Å; N349-M351 PolarHBondContact O-N 2.85Å; M351-I354 HydrophobicContact CE-CD1 4.48Å; M351-I354 HydrophobicContact SD-CD1 3.93Å; M351-I400 HydrophobicContact CE-CD1 3.97Å; M351-I400 HydrophobicContact CE-CG1 3.82Å; M351-I400 HydrophobicContact CG-CG1 4.45Å; M351-I400 HydrophobicContact SD-CB 4.31Å; M351-I400 HydrophobicContact SD-CD1 4.32Å; M351-I400 HydrophobicContact SD-CG1 3.86Å; M351-I400 HydrophobicContact SD-CG2 3.79Å; M351-C403 HydrophobicContact CG-CB 4.19Å; M351-N404 WeakPolarHBondContact O-CB 3.12Å; M351-N404 PolarHBondContact O-ND2 3.29Å
352S95.6Very high91.2Very high47 Ų4756.5 Ų56.533%0.32928%0.278SS..Hα-helixtrans-71.8-26.6175.4810000113.9V348 N349 Y350V348-S352 WeakPolarHBondContact O-CB 3.3Å; V348-S352 PolarHBondContact O-N 3.45Å; N349-S352 PolarHBondContact O-N 3.47Å; N349-S352 PolarHBondContact O-OG 2.97Å; Y350-S352 VanDerWaalsContact C-N 3.25Å; Y350-S352 PolarHBondContact O-N 3.1Å
353R95.5Very high93.6Very high157 Ų15753 Ų5359%0.59225%0.254SS*.Hα-helixtrans-83.4-24.7-178.4-72.7-178.3-167.7-145.20.8113.9N349 Y350 H355N349-R353 WeakPolarHBondContact O-CG 3.32Å; N349-R353 PolarHBondContact O-N 3.38Å; N349-R353 VanDerWaalsContact O-N 3.09Å; N349-R353 PolarHBondContact OD1-NE 3.17Å; N349-R353 PolarHBondContact OD1-NH2 3.43Å; Y350-R353 PolarHBondContact O-N 3.09Å; R353-H355 PolarHBondContact O-N 3.2Å; R353-H355 PolarHBondContact O-ND1 2.85Å
354I96.9Very high95.2Very high15 Ų1546.9 Ų46.98%0.07723%0.225CC..  trans-53.7131.3174.1-58.7168.7000109.2V184 F245 L249 Y350 M351 D359 F360 I363 N404V184-I354 HydrophobicContact CG1-CD1 3.88Å; V184-I354 HydrophobicContact CG1-CG1 4.15Å; F245-I354 HydrophobicContact CE1-CD1 4.23Å; F245-I354 HydrophobicContact CZ-CD1 4.07Å; L249-I354 HydrophobicContact CD2-CD1 4.04Å; Y350-I354 PolarHBondContact O-N 2.93Å; M351-I354 HydrophobicContact CE-CD1 4.48Å; M351-I354 HydrophobicContact SD-CD1 3.93Å; I354-D359 HydrophobicContact CG2-CB 3.48Å; I354-D359 VanDerWaalsContact CG2-CB 3.48Å; I354-F360 HydrophobicContact CB-CE1 4.13Å; I354-F360 HydrophobicContact CG2-CD1 3.86Å; I354-F360 HydrophobicContact CG2-CE1 3.61Å; I354-F360 WeakPolarHBondContact O-CE1 3.21Å; I354-F360 VanDerWaalsContact O-CZ 3.22Å; I354-F360 WeakPolarHBondContact O-CZ 3.26Å; I354-I363 HydrophobicContact CD1-CD1 4.18Å; I354-N404 PolarHBondContact O-ND2 2.88Å
355H95.8Very high96.1Very high81 Ų8144.5 Ų44.538%0.37522%0.218SC..  trans-154.9-2.5-174.264.7-89.1000115.6R353 K406R353-H355 PolarHBondContact O-N 3.2Å; R353-H355 PolarHBondContact O-ND1 2.85Å; H355-K406 HydrophobicContact CB-CD 3.6Å
356R96Very high96.3Very high107 Ų10744 Ų4440%0.40422%0.216SC..  trans-79.5139.7176.5-48.3-174.3179.4-174.52.5109.2L322 E358 D359 F360L322-R356 PolarHBondContact O-NH2 3.4Å; R356-E358 HydrophobicContact CB-CG 3.79Å; R356-E358 WeakPolarHBondContact CD-OE1 3.36Å; R356-E358 IonicContact CZ-OE1 2.71Å; R356-E358 IonicContact NE-OE1 2.88Å; R356-E358 IonicContact NH1-OE1 2.63Å; R356-E358 PolarHBondContact NH1-OE1 2.91Å; R356-E358 PolarHBondContact O-N 3.5Å; R356-D359 WeakPolarHBondContact CB-OD2 3.27Å; R356-D359 WeakPolarHBondContact CG-OD2 3.19Å; R356-D359 PolarHBondContact O-N 3.35Å; R356-F360 PolarHBondContact O-N 2.95Å; R356-F360 VanDerWaalsContact O-N 3.12Å
357D95.2Very high96.4Very high107 Ų10743.2 Ų43.257%0.57221%0.212SC*.Hα-helixtrans-64.4-22.7178.3-81.8-0.4000112.3A361 Y410D357-A361 VanDerWaalsContact O-CB 3.26Å; D357-A361 WeakPolarHBondContact O-CB 3.18Å; D357-A361 PolarHBondContact O-N 3.02Å; D357-Y410 HydrophobicContact CB-CD2 4.38Å; D357-Y410 HydrophobicContact CB-CE2 3.83Å; D357-Y410 VanDerWaalsContact OD1-CD2 3.3Å; D357-Y410 WeakPolarHBondContact OD1-CD2 3.47Å
358E95.6Very high96.4Very high118 Ų11843.9 Ų43.955%0.55122%0.216SC*.Hα-helixtrans-68.5-48172.465.2-169.3172.400112.6R356 F360 A361 F362R356-E358 HydrophobicContact CB-CG 3.79Å; R356-E358 WeakPolarHBondContact CD-OE1 3.36Å; R356-E358 IonicContact CZ-OE1 2.71Å; R356-E358 IonicContact NE-OE1 2.88Å; R356-E358 IonicContact NH1-OE1 2.63Å; R356-E358 PolarHBondContact NH1-OE1 2.91Å; R356-E358 PolarHBondContact O-N 3.5Å; E358-F360 VanDerWaalsContact C-N 3.33Å; E358-F360 PolarHBondContact O-N 2.89Å; E358-A361 PolarHBondContact O-N 2.69Å; E358-F362 PolarHBondContact O-N 3.25Å
359D97.2Very high96.4Very high19 Ų1945.9 Ų45.910%0.10222%0.22CC..Hα-helixtrans-61.2-44176-61.6-47.5000110.4V184 I354 R356 F362 I363V184-D359 WeakPolarHBondContact CA-OD1 3.37Å; V184-D359 HydrophobicContact CG1-CB 4.26Å; V184-D359 HydrophobicContact CG2-CB 4.25Å; I354-D359 HydrophobicContact CG2-CB 3.48Å; I354-D359 VanDerWaalsContact CG2-CB 3.48Å; R356-D359 WeakPolarHBondContact CB-OD2 3.27Å; R356-D359 WeakPolarHBondContact CG-OD2 3.19Å; R356-D359 PolarHBondContact O-N 3.35Å; D359-F362 PolarHBondContact O-N 3.23Å; D359-I363 VanDerWaalsContact O-CG1 3.3Å; D359-I363 WeakPolarHBondContact O-CG1 3.32Å; D359-I363 PolarHBondContact O-N 3.03Å
360F97.1Very high96.5Very high4 Ų444.8 Ų44.82%0.01821%0.214CC..Hα-helixtrans-66.3-37177.9-67-22.6000112.8I354 R356 E358 L364 K406 F407 Y410I354-F360 HydrophobicContact CB-CE1 4.13Å; I354-F360 HydrophobicContact CG2-CD1 3.86Å; I354-F360 HydrophobicContact CG2-CE1 3.61Å; I354-F360 WeakPolarHBondContact O-CE1 3.21Å; I354-F360 VanDerWaalsContact O-CZ 3.22Å; I354-F360 WeakPolarHBondContact O-CZ 3.26Å; R356-F360 PolarHBondContact O-N 2.95Å; R356-F360 VanDerWaalsContact O-N 3.12Å; E358-F360 VanDerWaalsContact C-N 3.33Å; E358-F360 PolarHBondContact O-N 2.89Å; F360-L364 VanDerWaalsContact O-CB 3.22Å; F360-L364 WeakPolarHBondContact O-CB 3.25Å; F360-L364 PolarHBondContact O-N 3.37Å; F360-K406 HydrophobicContact CE2-CB 3.85Å; F360-K406 HydrophobicContact CZ-CB 3.7Å; F360-F407 HydrophobicContact CB-CD2 4.2Å; F360-F407 HydrophobicContact CD1-CB 4.04Å; F360-F407 AromaticContact CD1-CD2 3.64Å; F360-F407 HydrophobicContact CD1-CD2 3.64Å; F360-F407 HydrophobicContact CD1-CG 4.33Å; F360-F407 HydrophobicContact CE1-CB 3.7Å; F360-F407 HydrophobicContact CE1-CD2 4.18Å; F360-F407 HydrophobicContact CE1-CG 4.44Å; F360-F407 HydrophobicContact CG-CD2 4.04Å; F360-F407 HydrophobicContact CZ-CB 4.03Å; F360-Y410 HydrophobicContact CB-CD1 3.6Å; F360-Y410 HydrophobicContact CB-CD2 3.99Å; F360-Y410 HydrophobicContact CB-CE1 3.82Å; F360-Y410 HydrophobicContact CB-CE2 4.18Å; F360-Y410 HydrophobicContact CB-CG 3.71Å; F360-Y410 AromaticContact CD2-CD2 3.95Å; F360-Y410 HydrophobicContact CD2-CD2 3.95Å; F360-Y410 AromaticContact CD2-CG 3.82Å; F360-Y410 HydrophobicContact CD2-CG 3.82Å; F360-Y410 HydrophobicContact CG-CD1 4.44Å; F360-Y410 HydrophobicContact CG-CD2 4.49Å; F360-Y410 HydrophobicContact CG-CG 4.17Å
361A96.4Very high96.4Very high33 Ų3342.1 Ų42.127%0.27320%0.204SC..Hα-helixtrans-63.3-43.8172.600000111.5D357 E358 S365 Y410D357-A361 VanDerWaalsContact O-CB 3.26Å; D357-A361 WeakPolarHBondContact O-CB 3.18Å; D357-A361 PolarHBondContact O-N 3.02Å; E358-A361 PolarHBondContact O-N 2.69Å; A361-S365 WeakPolarHBondContact O-CB 3.4Å; A361-S365 PolarHBondContact O-N 3.44Å; A361-Y410 WeakPolarHBondContact CB-OH 3.11Å
362F97.2Very high96.3Very high51 Ų5144 Ų4422%0.22421%0.214CC..Hα-helixtrans-63.1-50.9178.4172.1-102000112G183 V184 N250 C253 A254 E358 D359 L364 S365 G366G183-F362 VanDerWaalsContact CA-CZ 3.45Å; V184-F362 HydrophobicContact CG2-CD1 3.75Å; V184-F362 HydrophobicContact CG2-CE1 4.12Å; N250-F362 HydrophobicContact CB-CZ 4.44Å; N250-F362 WeakPolarHBondContact OD1-CE1 3.33Å; C253-F362 HydrophobicContact CB-CD1 3.92Å; C253-F362 HydrophobicContact CB-CE1 3.37Å; C253-F362 HydrophobicContact CB-CE2 4.44Å; C253-F362 HydrophobicContact CB-CZ 3.67Å; A254-F362 HydrophobicContact CB-CE2 4.18Å; A254-F362 HydrophobicContact CB-CZ 4.1Å; E358-F362 PolarHBondContact O-N 3.25Å; D359-F362 PolarHBondContact O-N 3.23Å; F362-L364 PolarHBondContact O-N 2.73Å; F362-S365 PolarHBondContact O-N 2.82Å; F362-G366 PolarHBondContact O-N 3.32Å
363I98Very high96.1Very high1 Ų141.9 Ų41.91%0.00520%0.199CC..Hα-helixtrans-59-49177.6-66165.4000110.9V184 L249 I354 D359 G366 I367 I400 F407V184-I363 HydrophobicContact CG2-CD1 3.97Å; V184-I363 HydrophobicContact CG2-CG1 3.87Å; L249-I363 HydrophobicContact CD2-CD1 4.25Å; L249-I363 HydrophobicContact CD2-CG1 4.49Å; I354-I363 HydrophobicContact CD1-CD1 4.18Å; D359-I363 VanDerWaalsContact O-CG1 3.3Å; D359-I363 WeakPolarHBondContact O-CG1 3.32Å; D359-I363 PolarHBondContact O-N 3.03Å; I363-G366 PolarHBondContact O-N 2.86Å; I363-I367 HydrophobicContact CG2-CD1 3.86Å; I363-I367 WeakPolarHBondContact O-CG1 3.39Å; I363-I367 PolarHBondContact O-N 2.88Å; I363-I400 HydrophobicContact CG2-CD1 3.88Å; I363-F407 HydrophobicContact CB-CE2 4.14Å; I363-F407 HydrophobicContact CG2-CE2 3.77Å; I363-F407 HydrophobicContact CG2-CZ 3.96Å
364L97.4Very high95.8Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-67.8-38.7-177.4-173.356.4000111.9F360 F362 T368 F397 F407 Y410 V411 Q416F360-L364 VanDerWaalsContact O-CB 3.22Å; F360-L364 WeakPolarHBondContact O-CB 3.25Å; F360-L364 PolarHBondContact O-N 3.37Å; F362-L364 PolarHBondContact O-N 2.73Å; L364-T368 HydrophobicContact CD1-CG2 4Å; L364-T368 HydrophobicContact CG-CG2 4.44Å; L364-T368 WeakPolarHBondContact O-CB 3.2Å; L364-T368 WeakPolarHBondContact O-CG2 3.37Å; L364-T368 PolarHBondContact O-N 3.11Å; L364-T368 PolarHBondContact O-OG1 3.31Å; L364-F397 HydrophobicContact CD1-CE2 4.39Å; L364-F407 HydrophobicContact CB-CE2 4.24Å; L364-F407 HydrophobicContact CB-CZ 4.43Å; L364-F407 HydrophobicContact CD1-CZ 4.35Å; L364-Y410 HydrophobicContact CD2-CD1 4.33Å; L364-Y410 HydrophobicContact CD2-CE1 4.13Å; L364-V411 HydrophobicContact CD1-CG2 3.99Å; L364-V411 HydrophobicContact CD2-CB 4.46Å; L364-V411 HydrophobicContact CD2-CG2 3.99Å; L364-Q416 HydrophobicContact CD2-CB 3.92Å; L364-Q416 VanDerWaalsContact CD2-OE1 3.31Å; L364-Q416 HydrophobicContact CG-CB 4.33Å
365S96.6Very high95.4Very high53 Ų5335.8 Ų35.837%0.37118%0.179SC..Hα-helixtrans-63.8-43174.5-178.30000112A361 F362 T368 R369A361-S365 WeakPolarHBondContact O-CB 3.4Å; A361-S365 PolarHBondContact O-N 3.44Å; F362-S365 PolarHBondContact O-N 2.82Å; S365-T368 PolarHBondContact O-OG1 3.45Å; S365-R369 WeakPolarHBondContact O-CB 3.42Å; S365-R369 PolarHBondContact O-N 2.95Å
366G97Very high94.9Very high1 Ų134.6 Ų34.61%0.0118%0.177CC..Hα-helixtrans-59.8-55.4174.900000112.7C253 F362 I363 T368 R369 L370C253-G366 WeakPolarHBondContact O-CA 3.16Å; F362-G366 PolarHBondContact O-N 3.32Å; I363-G366 PolarHBondContact O-N 2.86Å; G366-T368 PolarHBondContact O-N 3.46Å; G366-R369 PolarHBondContact O-N 3.1Å; G366-L370 WeakPolarHBondContact O-CG 3.32Å; G366-L370 PolarHBondContact O-N 3.32Å; G366-L370 VanDerWaalsContact O-N 3.11Å
367I97.4Very high94Very high1 Ų134.8 Ų34.81%0.00518%0.183CC..Hα-helixtrans-60.9-44.4-180-67.8173.3000111.2I363 L371 F397 I400 L420I363-I367 HydrophobicContact CG2-CD1 3.86Å; I363-I367 WeakPolarHBondContact O-CG1 3.39Å; I363-I367 PolarHBondContact O-N 2.88Å; I367-L371 HydrophobicContact CG2-CD1 3.74Å; I367-L371 HydrophobicContact CG2-CG 4.41Å; I367-L371 WeakPolarHBondContact O-CB 3.47Å; I367-L371 WeakPolarHBondContact O-CG 3.31Å; I367-L371 PolarHBondContact O-N 3.34Å; I367-F397 HydrophobicContact CG2-CB 4.24Å; I367-F397 HydrophobicContact CG2-CD2 4.27Å; I367-I400 HydrophobicContact CD1-CD1 4.03Å; I367-L420 HydrophobicContact CG2-CD1 4.47Å
368T95.7Very high93.3Very high13 Ų1332.9 Ų32.98%0.0818%0.175CC..Hα-helixtrans-71.3-35.1179.454.50000113L364 S365 G366 N372 L420L364-T368 HydrophobicContact CD1-CG2 4Å; L364-T368 HydrophobicContact CG-CG2 4.44Å; L364-T368 WeakPolarHBondContact O-CB 3.2Å; L364-T368 WeakPolarHBondContact O-CG2 3.37Å; L364-T368 PolarHBondContact O-N 3.11Å; L364-T368 PolarHBondContact O-OG1 3.31Å; S365-T368 PolarHBondContact O-OG1 3.45Å; G366-T368 PolarHBondContact O-N 3.46Å; T368-N372 VanDerWaalsContact O-CB 3.3Å; T368-N372 WeakPolarHBondContact O-CB 3.43Å; T368-N372 PolarHBondContact O-N 3.21Å; T368-N372 PolarHBondContact O-ND2 2.93Å; T368-L420 HydrophobicContact CG2-CB 4.11Å; T368-L420 HydrophobicContact CG2-CD1 4.29Å
369R95.3Very high92.6Very high74 Ų7438.8 Ų38.828%0.27919%0.194SC..Hα-helixtrans-58.5-48.6172.817817464.1-99.9-0.9111.1C253 A254 Y255 S365 G366 N372 N373C253-R369 PolarHBondContact O-NH2 3.37Å; A254-R369 PolarHBondContact O-NH2 3.15Å; Y255-R369 VanDerWaalsContact O-CZ 3.28Å; Y255-R369 PolarHBondContact O-NE 2.79Å; Y255-R369 PolarHBondContact O-NH2 2.86Å; S365-R369 WeakPolarHBondContact O-CB 3.42Å; S365-R369 PolarHBondContact O-N 2.95Å; G366-R369 PolarHBondContact O-N 3.1Å; R369-N372 PolarHBondContact O-N 3.3Å; R369-N373 PolarHBondContact O-N 3Å
370L96.6Very high92.1Very high1 Ų141.9 Ų41.91%0.00521%0.21CC..Hα-helixtrans-71.2-39.1-178.4-62.1177.3000112.5Y255 P257 G366 N372 N373 L393Y255-L370 HydrophobicContact CD1-CD1 4.34Å; Y255-L370 HydrophobicContact CD1-CD2 3.6Å; Y255-L370 HydrophobicContact CE1-CD2 4.19Å; Y255-L370 HydrophobicContact CG-CD2 4.43Å; P257-L370 HydrophobicContact CG-CD2 4.08Å; G366-L370 WeakPolarHBondContact O-CG 3.32Å; G366-L370 PolarHBondContact O-N 3.32Å; G366-L370 VanDerWaalsContact O-N 3.11Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.13Å; L370-N373 WeakPolarHBondContact O-CB 3.49Å; L370-N373 PolarHBondContact O-N 2.86Å; L370-L393 HydrophobicContact CB-CD1 3.44Å; L370-L393 VanDerWaalsContact CB-CD1 3.44Å; L370-L393 HydrophobicContact CB-CD2 4.38Å; L370-L393 HydrophobicContact CD1-CD1 4.26Å; L370-L393 HydrophobicContact CD1-CD2 4.01Å; L370-L393 HydrophobicContact CG-CD1 4.5Å
371L95.4Very high91.4Very high1 Ų146.7 Ų46.71%0.00524%0.242CC..Hα-helixtrans-68.2-29.6174.1-71.4174.3000113.1I367 P374 H390 L393 L394 L420 P423I367-L371 HydrophobicContact CG2-CD1 3.74Å; I367-L371 HydrophobicContact CG2-CG 4.41Å; I367-L371 WeakPolarHBondContact O-CB 3.47Å; I367-L371 WeakPolarHBondContact O-CG 3.31Å; I367-L371 PolarHBondContact O-N 3.34Å; L371-P374 WeakPolarHBondContact O-CD 3.4Å; L371-H390 HydrophobicContact CD2-CB 4.36Å; L371-L393 HydrophobicContact CD2-CB 3.82Å; L371-L393 HydrophobicContact CD2-CD1 4.2Å; L371-L393 HydrophobicContact CG-CB 4.21Å; L371-L393 HydrophobicContact CG-CD1 4.36Å; L371-L394 HydrophobicContact CD1-CD2 3.85Å; L371-L394 HydrophobicContact CD2-CD2 4.03Å; L371-L394 HydrophobicContact CD2-CG 4.02Å; L371-L420 HydrophobicContact CD1-CD1 3.64Å; L371-P423 HydrophobicContact CB-CB 4.07Å; L371-P423 HydrophobicContact CB-CG 3.97Å; L371-P423 WeakPolarHBondContact O-CB 3.43Å
372N93.4Very high90.7Very high40 Ų4047.9 Ų47.921%0.21426%0.257CS..Hα-helixtrans-85.5-9173.9-76.3-80000114.1T368 R369 L370 P374 L375 V376 D419T368-N372 VanDerWaalsContact O-CB 3.3Å; T368-N372 WeakPolarHBondContact O-CB 3.43Å; T368-N372 PolarHBondContact O-N 3.21Å; T368-N372 PolarHBondContact O-ND2 2.93Å; R369-N372 PolarHBondContact O-N 3.3Å; L370-N372 VanDerWaalsContact C-N 3.34Å; L370-N372 PolarHBondContact O-N 3.13Å; N372-P374 VanDerWaalsContact C-N 3.34Å; N372-L375 CarbonylContact O-C 3.58Å; N372-L375 VanDerWaalsContact O-CA 3.3Å; N372-L375 WeakPolarHBondContact O-CA 3.28Å; N372-L375 WeakPolarHBondContact O-CB 3.48Å; N372-L375 PolarHBondContact O-N 3Å; N372-V376 PolarHBondContact O-N 2.98Å; N372-V376 VanDerWaalsContact O-N 3.1Å; N372-D419 PolarHBondContact ND2-O 3.39Å
373N92.9Very high90.2Very high2 Ų245.8 Ų45.81%0.01125%0.249CC..G310 helixtrans-53.5-42.5178166-89000113.4P257 R369 L370 L375 V376 K385 K386 V387P257-N373 HydrophobicContact CG-CB 4.23Å; P257-N373 WeakPolarHBondContact CG-ND2 3.22Å; R369-N373 PolarHBondContact O-N 3Å; L370-N373 WeakPolarHBondContact O-CB 3.49Å; L370-N373 PolarHBondContact O-N 2.86Å; N373-L375 PolarHBondContact O-N 3.06Å; N373-V376 PolarHBondContact O-N 3.16Å; N373-K385 PolarHBondContact ND2-O 3.21Å; N373-K385 PolarHBondContact OD1-O 3.4Å; N373-K386 PolarHBondContact O-NZ 3.45Å; N373-K386 VanDerWaalsContact OD1-CA 3.27Å; N373-K386 WeakPolarHBondContact OD1-CA 3.43Å; N373-V387 HydrophobicContact CB-CG2 4.12Å; N373-V387 PolarHBondContact OD1-N 3.26Å
374P89.4Confident89.6Confident18 Ų1846.3 Ų46.312%0.11725%0.253CS..G310 helixtrans-51.4-40.9167.9-30.537.1000113.9L371 N372 K386 Y426L371-P374 WeakPolarHBondContact O-CD 3.4Å; N372-P374 VanDerWaalsContact C-N 3.34Å; P374-K386 PolarHBondContact O-NZ 2.72Å; P374-Y426 HydrophobicContact CB-CD1 4.44Å; P374-Y426 HydrophobicContact CB-CE1 3.69Å
375L88.6Confident89.2Confident27 Ų2748.4 Ų48.414%0.14126%0.262CS..G310 helixtrans-80.8-8.4-177.3-66.9175.7000115.2N372 N373 Q377 V422 P423 Y426 L470 L471N372-L375 CarbonylContact O-C 3.58Å; N372-L375 VanDerWaalsContact O-CA 3.3Å; N372-L375 WeakPolarHBondContact O-CA 3.28Å; N372-L375 WeakPolarHBondContact O-CB 3.48Å; N372-L375 PolarHBondContact O-N 3Å; N373-L375 PolarHBondContact O-N 3.06Å; L375-Q377 PolarHBondContact O-N 2.76Å; L375-V422 HydrophobicContact CD1-CB 4.47Å; L375-V422 HydrophobicContact CD1-CG1 3.78Å; L375-P423 HydrophobicContact CD1-CB 3.98Å; L375-Y426 HydrophobicContact CD2-CD1 4.24Å; L375-Y426 HydrophobicContact CD2-CD2 3.47Å; L375-Y426 VanDerWaalsContact CD2-CD2 3.47Å; L375-Y426 HydrophobicContact CD2-CE2 3.88Å; L375-Y426 HydrophobicContact CD2-CG 3.67Å; L375-Y426 HydrophobicContact CG-CD1 4.48Å; L375-Y426 HydrophobicContact CG-CG 4.29Å; L375-L470 VanDerWaalsContact CA-CD1 3.48Å; L375-L470 HydrophobicContact CB-CD1 4.27Å; L375-L470 HydrophobicContact CD2-CB 3.86Å; L375-L470 HydrophobicContact CD2-CD1 3.93Å; L375-L470 WeakPolarHBondContact O-CD1 3.22Å; L375-L471 HydrophobicContact CD2-CD1 4.22Å
376V84.4Confident88.9Confident55 Ų5549.7 Ų49.733%0.33326%0.261SS..  trans-62.9119.5174.91750000110N372 N373 K386N372-V376 PolarHBondContact O-N 2.98Å; N372-V376 VanDerWaalsContact O-N 3.1Å; N373-V376 PolarHBondContact O-N 3.16Å; V376-K386 PolarHBondContact O-NZ 2.87Å
377Q76.5Confident88.7Confident112 Ų11250.1 Ų50.152%0.52326%0.263SS..  trans-99.6142.3172.1-67.4-160.3-59.100111.4L375 S469 L470L375-Q377 PolarHBondContact O-N 2.76Å; Q377-S469 PolarHBondContact OE1-OG 2.75Å; Q377-L470 HydrophobicContact CG-CD1 3.63Å; Q377-L470 HydrophobicContact CG-CD2 4.18Å; Q377-L470 HydrophobicContact CG-CG 3.86Å
378T80.2Confident88.3Confident66 Ų6656.2 Ų56.241%0.40529%0.292SS..  trans-136.9150.2176.444.80000108L380 S383T378-L380 PolarHBondContact O-N 2.89Å; T378-L380 PolarHBondContact OG1-O 2.82Å; T378-S383 WeakPolarHBondContact CB-OG 3.21Å; T378-S383 PolarHBondContact OG1-OG 3.16Å
379Y83Confident88.3Confident242 Ų24255.6 Ų55.695%0.94929%0.288SS*.SBendtrans-58.2-36.1173.7-64.5-80.4000112P381Y379-P381 WeakPolarHBondContact O-CD 3.2Å
380L85.8Confident88.2Confident85 Ų8553.2 Ų53.245%0.44528%0.279SS..SBendtrans-67.6104.6171.156.460.5000113.9P263 Y264 T378 G382 S383P263-L380 HydrophobicContact CB-CD1 3.81Å; P263-L380 HydrophobicContact CG-CD1 4.02Å; Y264-L380 HydrophobicContact CE2-CD1 4.1Å; T378-L380 PolarHBondContact O-N 2.89Å; T378-L380 PolarHBondContact OG1-O 2.82Å; L380-G382 PolarHBondContact O-N 3.4Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 2.69Å; L380-S383 PolarHBondContact O-OG 3.41Å
381P82.3Confident88.2Confident105 Ų10554.9 Ų54.968%0.68229%0.287SS*.THydrogen-bonded Turntrans-65.8133.1176.827.6-33000110.7Y264 Y379 S383Y264-P381 WeakPolarHBondContact CE1-O 3.35Å; Y264-P381 PolarHBondContact OH-O 3.01Å; Y379-P381 WeakPolarHBondContact O-CD 3.2Å; P381-S383 PolarHBondContact O-N 3.08Å
382G82.5Confident88.2Confident58 Ų5854.8 Ų54.860%0.59829%0.287SS*.THydrogen-bonded Turntrans69.56.9-175.600000115.5H266 L380H266-G382 PolarHBondContact CE1-O 3.35Å; L380-G382 PolarHBondContact O-N 3.4Å
383S85.8Confident88.4Confident6 Ų652.9 Ų52.94%0.04228%0.277CS..  trans-76.4-24.5-17464.10000115.2Y264 H266 T378 L380 P381Y264-S383 VanDerWaalsContact CE1-CA 3.48Å; Y264-S383 PolarHBondContact N-O 3.21Å; H266-S383 PolarHBondContact CE1-O 2.85Å; H266-S383 PolarHBondContact ND1-O 3.2Å; T378-S383 WeakPolarHBondContact CB-OG 3.21Å; T378-S383 PolarHBondContact OG1-OG 3.16Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 2.69Å; L380-S383 PolarHBondContact O-OG 3.41Å; P381-S383 PolarHBondContact O-N 3.08Å
384S85.9Confident88.7Confident13 Ų1352.9 Ų52.99%0.09128%0.277CS..SBendtrans-92.2135.7174.148.60000111.6K386S384-K386 WeakPolarHBondContact OG-CE 3.5Å
385K88.2Confident89Confident44 Ų4452 Ų5219%0.19127%0.271CS..  trans-54.7141.2170.9173.969.1177.7-162.10109.9P257 H266 E274 N373P257-K385 HydrophobicContact CB-CB 4.47Å; P257-K385 HydrophobicContact CB-CG 3.97Å; P257-K385 VanDerWaalsContact O-CB 3.25Å; P257-K385 WeakPolarHBondContact O-CB 3.36Å; H266-K385 HydrophobicContact CB-CB 3.83Å; H266-K385 HydrophobicContact CB-CD 4.05Å; H266-K385 HydrophobicContact CB-CG 4.37Å; H266-K385 PolarHBondContact CE1-N 3.13Å; H266-K385 PolarHBondContact ND1-N 2.73Å; E274-K385 VanDerWaalsContact CD-CE 3.4Å; E274-K385 WeakPolarHBondContact OE1-CE 3.48Å; E274-K385 IonicContact OE1-NZ 3.71Å; E274-K385 PolarHBondContact OE1-NZ 3.29Å; E274-K385 WeakPolarHBondContact OE2-CE 3.19Å; E274-K385 IonicContact OE2-NZ 2.77Å; E274-K385 PolarHBondContact OE2-NZ 3.29Å; N373-K385 PolarHBondContact ND2-O 3.21Å; N373-K385 PolarHBondContact OD1-O 3.4Å
386K90Very high89.4Confident80 Ų8050.8 Ų50.835%0.34827%0.265SS..  trans-119.1117.9175.2-59.5-65.3174173.20110.4N373 P374 V376 S384N373-K386 PolarHBondContact O-NZ 3.45Å; N373-K386 VanDerWaalsContact OD1-CA 3.27Å; N373-K386 WeakPolarHBondContact OD1-CA 3.43Å; P374-K386 PolarHBondContact O-NZ 2.72Å; V376-K386 PolarHBondContact O-NZ 2.87Å; S384-K386 WeakPolarHBondContact OG-CE 3.5Å
387V92.9Very high90Very high9 Ų948.1 Ų48.16%0.05525%0.249CC..  trans-79.6152179.6-57.50000111.3Y255 P257 N373 M389Y255-V387 HydrophobicContact CE1-CG1 4.05Å; P257-V387 HydrophobicContact CB-CG1 3.45Å; P257-V387 VanDerWaalsContact CB-CG1 3.45Å; P257-V387 HydrophobicContact CG-CG1 3.61Å; N373-V387 HydrophobicContact CB-CG2 4.12Å; N373-V387 PolarHBondContact OD1-N 3.26Å; V387-M389 HydrophobicContact CB-CE 4.21Å; V387-M389 HydrophobicContact CB-CG 4.43Å; V387-M389 HydrophobicContact CG1-CE 4.37Å; V387-M389 HydrophobicContact CG2-CG 4.42Å
388Q90.5Very high90.9Very high130 Ų13042.9 Ų42.961%0.60722%0.224SC*.  trans-106.2-16-178.2-61.6-168.211.600114.4H390Q388-H390 PolarHBondContact O-N 3.01Å; Q388-H390 PolarHBondContact O-ND1 3.11Å
389M94.8Very high91.5Very high0 Ų039.8 Ų39.80%021%0.205CC..THydrogen-bonded Turntrans-6920-174.167.5-169.275.700117.1Y255 E274 V277 E278 L281 V387 Q391 E392 L393Y255-M389 HydrophobicContact CD1-CE 4.47Å; Y255-M389 HydrophobicContact CE1-CE 4.03Å; E274-M389 HydrophobicContact CG-CE 3.82Å; V277-M389 HydrophobicContact CG1-CE 4.13Å; V277-M389 HydrophobicContact CG1-SD 3.73Å; E278-M389 HydrophobicContact CG-CB 4.46Å; E278-M389 HydrophobicContact CG-CE 3.63Å; L281-M389 HydrophobicContact CD2-CB 3.91Å; L281-M389 HydrophobicContact CD2-CG 4.09Å; L281-M389 HydrophobicContact CD2-SD 4.16Å; V387-M389 HydrophobicContact CB-CE 4.21Å; V387-M389 HydrophobicContact CB-CG 4.43Å; V387-M389 HydrophobicContact CG1-CE 4.37Å; V387-M389 HydrophobicContact CG2-CG 4.42Å; M389-Q391 VanDerWaalsContact C-N 3.33Å; M389-Q391 PolarHBondContact O-N 2.89Å; M389-E392 VanDerWaalsContact C-OE2 3.23Å; M389-E392 WeakPolarHBondContact CA-OE2 3.42Å; M389-E392 PolarHBondContact O-N 2.97Å; M389-L393 HydrophobicContact CG-CD1 3.85Å; M389-L393 HydrophobicContact CG-CG 4.24Å; M389-L393 WeakPolarHBondContact O-CG 3.41Å; M389-L393 PolarHBondContact O-N 3.19Å
390H94Very high92.1Very high23 Ų2328.3 Ų28.311%0.10616%0.16CC..Hα-helixtrans-67.8-26-173.768.6-70.2000114.5L371 Q388 L394 H427 L440L371-H390 HydrophobicContact CD2-CB 4.36Å; Q388-H390 PolarHBondContact O-N 3.01Å; Q388-H390 PolarHBondContact O-ND1 3.11Å; H390-L394 VanDerWaalsContact O-CG 3.31Å; H390-L394 WeakPolarHBondContact O-CG 3.27Å; H390-L394 PolarHBondContact O-N 3.35Å; H390-H427 AromaticContact CD2-CE1 3.15Å; H390-H427 PolarHBondContact CD2-CE1 3.19Å; H390-H427 AromaticContact CD2-CG 3.75Å; H390-H427 AromaticContact CD2-ND1 3.13Å; H390-H427 PolarHBondContact CD2-ND1 2.7Å; H390-H427 AromaticContact CD2-NE2 3.77Å; H390-H427 AromaticContact CG-CE1 3.53Å; H390-H427 AromaticContact CG-ND1 3.98Å; H390-H427 AromaticContact CG-NE2 4Å; H390-H427 AromaticContact NE2-CE1 3.78Å; H390-H427 AromaticContact NE2-ND1 3.53Å; H390-L440 VanDerWaalsContact NE2-CD2 3.33Å; H390-L440 WeakPolarHBondContact NE2-CD2 3.37Å
391Q95.4Very high92.5Very high36 Ų3624.3 Ų24.317%0.16814%0.139CC..Hα-helixtrans-73.8-45.1177.7-62-174.8114.300110M389 L394 V395 L440 Y936 I940M389-Q391 VanDerWaalsContact C-N 3.33Å; M389-Q391 PolarHBondContact O-N 2.89Å; Q391-L394 PolarHBondContact O-N 3.06Å; Q391-V395 PolarHBondContact O-N 2.9Å; Q391-L440 HydrophobicContact CG-CB 4.38Å; Q391-L440 HydrophobicContact CG-CD1 4.28Å; Q391-L440 HydrophobicContact CG-CD2 4.38Å; Q391-Y936 PolarHBondContact OE1-OH 3.29Å; Q391-I940 HydrophobicContact CB-CD1 3.76Å; Q391-I940 HydrophobicContact CB-CG1 4.18Å; Q391-I940 HydrophobicContact CB-CG2 4.39Å
392E96.6Very high92.8Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-63.5-42.6177-51.893.8120.800111.1L281 Q282 C285 M389 L394 V395 L396 I940 R944L281-E392 HydrophobicContact CD1-CB 4.44Å; L281-E392 HydrophobicContact CD2-CB 3.67Å; L281-E392 HydrophobicContact CG-CB 3.76Å; Q282-E392 HydrophobicContact CG-CG 4.21Å; C285-E392 PolarHBondContact SG-O 3.32Å; C285-E392 VanDerWaalsContact SG-O 3.41Å; M389-E392 VanDerWaalsContact C-OE2 3.23Å; M389-E392 WeakPolarHBondContact CA-OE2 3.42Å; M389-E392 PolarHBondContact O-N 2.97Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 3.25Å; E392-V395 PolarHBondContact O-N 3.32Å; E392-V395 VanDerWaalsContact O-N 3.16Å; E392-L396 PolarHBondContact O-N 3.13Å; E392-I940 HydrophobicContact CG-CG2 3.79Å; E392-R944 IonicContact OE1-CZ 3.47Å; E392-R944 IonicContact OE1-NE 3.69Å; E392-R944 PolarHBondContact OE1-NE 2.92Å; E392-R944 IonicContact OE1-NH2 3.57Å; E392-R944 PolarHBondContact OE1-NH2 3.11Å; E392-R944 IonicContact OE2-NE 2.62Å
393L97.8Very high93.3Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-59.8-36.6175.2-76.4167.6000113.7V252 L281 L370 L371 M389 F397V252-L393 HydrophobicContact CG1-CD2 4.45Å; L281-L393 HydrophobicContact CD1-CD2 4.27Å; L281-L393 HydrophobicContact CD2-CD2 3.93Å; L281-L393 HydrophobicContact CD2-CG 3.81Å; L370-L393 HydrophobicContact CB-CD1 3.44Å; L370-L393 VanDerWaalsContact CB-CD1 3.44Å; L370-L393 HydrophobicContact CB-CD2 4.38Å; L370-L393 HydrophobicContact CD1-CD1 4.26Å; L370-L393 HydrophobicContact CD1-CD2 4.01Å; L370-L393 HydrophobicContact CG-CD1 4.5Å; L371-L393 HydrophobicContact CD2-CB 3.82Å; L371-L393 HydrophobicContact CD2-CD1 4.2Å; L371-L393 HydrophobicContact CG-CB 4.21Å; L371-L393 HydrophobicContact CG-CD1 4.36Å; M389-L393 HydrophobicContact CG-CD1 3.85Å; M389-L393 HydrophobicContact CG-CG 4.24Å; M389-L393 WeakPolarHBondContact O-CG 3.41Å; M389-L393 PolarHBondContact O-N 3.19Å; L393-F397 WeakPolarHBondContact O-CB 3.47Å; L393-F397 PolarHBondContact O-N 3Å
394L97.5Very high93.7Very high2 Ų218.9 Ų18.91%0.019%0.091CC..Hα-helixtrans-72-35.5176.5-68.8171.6000111.7L371 H390 Q391 E392 W398 I424 L440 V443 I447L371-L394 HydrophobicContact CD1-CD2 3.85Å; L371-L394 HydrophobicContact CD2-CD2 4.03Å; L371-L394 HydrophobicContact CD2-CG 4.02Å; H390-L394 VanDerWaalsContact O-CG 3.31Å; H390-L394 WeakPolarHBondContact O-CG 3.27Å; H390-L394 PolarHBondContact O-N 3.35Å; Q391-L394 PolarHBondContact O-N 3.06Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 3.25Å; L394-W398 WeakPolarHBondContact O-CB 3.37Å; L394-W398 PolarHBondContact O-N 3.3Å; L394-I424 HydrophobicContact CD2-CD1 4.16Å; L394-I424 HydrophobicContact CD2-CG1 3.71Å; L394-L440 HydrophobicContact CD1-CD1 3.54Å; L394-V443 HydrophobicContact CB-CG1 3.74Å; L394-I447 HydrophobicContact CB-CD1 3.9Å; L394-I447 HydrophobicContact CD2-CD1 3.81Å; L394-I447 HydrophobicContact CG-CD1 4.4Å
395V96.2Very high94.1Very high0 Ų025 Ų250%012%0.116CC..Hα-helixtrans-67-42.1172177.10000110.9C285 Q391 E392 W398 R399 V443 F933 Y936 L937C285-V395 HydrophobicContact CB-CG1 4.19Å; Q391-V395 PolarHBondContact O-N 2.9Å; E392-V395 PolarHBondContact O-N 3.32Å; E392-V395 VanDerWaalsContact O-N 3.16Å; V395-W398 WeakPolarHBondContact O-CB 3.3Å; V395-W398 PolarHBondContact O-N 3.24Å; V395-R399 WeakPolarHBondContact O-CG 3.28Å; V395-R399 PolarHBondContact O-N 3.11Å; V395-V443 HydrophobicContact CG2-CG2 4.47Å; V395-F933 HydrophobicContact CG2-CD1 4.31Å; V395-F933 HydrophobicContact CG2-CE1 4.35Å; V395-Y936 HydrophobicContact CG2-CD1 4.18Å; V395-Y936 HydrophobicContact CG2-CE1 3.91Å; V395-L937 HydrophobicContact CG1-CD1 4.37Å
396L97.3Very high94.4Very high0 Ų028.1 Ų28.10%013%0.129CC..Hα-helixtrans-61-49.3174.4-179.662000111.5V252 L281 L284 L288 E392 W398 R399 I400V252-L396 HydrophobicContact CG1-CD2 4.28Å; L281-L396 HydrophobicContact CD1-CB 3.73Å; L281-L396 HydrophobicContact CD1-CD2 3.5Å; L281-L396 HydrophobicContact CD1-CG 4.18Å; L284-L396 HydrophobicContact CB-CD1 4.04Å; L284-L396 HydrophobicContact CD1-CD2 4.43Å; L288-L396 HydrophobicContact CD1-CD1 3.85Å; E392-L396 PolarHBondContact O-N 3.13Å; L396-W398 VanDerWaalsContact C-N 3.28Å; L396-W398 PolarHBondContact O-N 3.08Å; L396-R399 PolarHBondContact O-N 2.79Å; L396-R399 VanDerWaalsContact O-N 3.14Å; L396-I400 HydrophobicContact CD1-CD1 3.92Å; L396-I400 HydrophobicContact CD1-CG1 4.04Å; L396-I400 HydrophobicContact CD2-CD1 4.42Å; L396-I400 HydrophobicContact CG-CD1 3.86Å; L396-I400 HydrophobicContact CG-CG1 4.34Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 3.44Å
397F97.2Very high94.7Very high0 Ų024.3 Ų24.30%011%0.113CC..Hα-helixtrans-55.2-45.7176.5177.3-92.7000111.5L364 I367 L393 I400 C401 F407 V411 L420 I447L364-F397 HydrophobicContact CD1-CE2 4.39Å; I367-F397 HydrophobicContact CG2-CB 4.24Å; I367-F397 HydrophobicContact CG2-CD2 4.27Å; L393-F397 WeakPolarHBondContact O-CB 3.47Å; L393-F397 PolarHBondContact O-N 3Å; F397-I400 PolarHBondContact O-N 2.86Å; F397-C401 WeakPolarHBondContact CZ-SG 3.41Å; F397-C401 WeakPolarHBondContact O-CB 3.39Å; F397-C401 PolarHBondContact O-N 3.01Å; F397-F407 HydrophobicContact CD2-CE1 4.24Å; F397-F407 AromaticContact CE2-CE1 3.87Å; F397-F407 HydrophobicContact CE2-CE1 3.87Å; F397-F407 HydrophobicContact CE2-CZ 4.27Å; F397-V411 HydrophobicContact CE2-CG1 4.4Å; F397-V411 HydrophobicContact CE2-CG2 4.16Å; F397-V411 HydrophobicContact CZ-CG1 4.21Å; F397-V411 HydrophobicContact CZ-CG2 4.5Å; F397-L420 HydrophobicContact CD1-CD2 4.19Å; F397-L420 HydrophobicContact CD2-CD1 4.21Å; F397-L420 HydrophobicContact CD2-CD2 4.17Å; F397-L420 HydrophobicContact CE1-CD2 3.62Å; F397-L420 HydrophobicContact CE2-CD1 4.35Å; F397-L420 HydrophobicContact CE2-CD2 3.58Å; F397-L420 HydrophobicContact CG-CD1 4.43Å; F397-L420 HydrophobicContact CG-CD2 4.46Å; F397-L420 HydrophobicContact CZ-CD2 3.28Å; F397-I447 HydrophobicContact CD1-CD1 4.22Å; F397-I447 HydrophobicContact CD1-CG1 4.39Å; F397-I447 HydrophobicContact CD1-CG2 4.04Å; F397-I447 HydrophobicContact CE1-CG2 3.81Å
398W94.5Very high94.8Very high2 Ų225 Ų251%0.00812%0.115CC..Hα-helixtrans-56.4-51.4174.8174.3-83000111.9L394 V395 L396 I400 C401 E402 F446 I447 L450 Y923 F933L394-W398 WeakPolarHBondContact O-CB 3.37Å; L394-W398 PolarHBondContact O-N 3.3Å; V395-W398 WeakPolarHBondContact O-CB 3.3Å; V395-W398 PolarHBondContact O-N 3.24Å; L396-W398 VanDerWaalsContact C-N 3.28Å; L396-W398 PolarHBondContact O-N 3.08Å; W398-I400 PolarHBondContact O-N 3.46Å; W398-C401 CarbonylContact O-C 3.49Å; W398-C401 WeakPolarHBondContact O-CB 3.44Å; W398-C401 PolarHBondContact O-N 2.87Å; W398-E402 PolarHBondContact NE1-OE2 3.45Å; W398-E402 WeakPolarHBondContact O-CB 3.32Å; W398-E402 PolarHBondContact O-N 2.89Å; W398-F446 HydrophobicContact CE3-CB 4.43Å; W398-F446 HydrophobicContact CH2-CB 4.27Å; W398-F446 HydrophobicContact CZ3-CB 3.8Å; W398-I447 HydrophobicContact CE3-CG1 3.92Å; W398-L450 HydrophobicContact CE3-CD2 3.88Å; W398-L450 HydrophobicContact CH2-CD2 4.22Å; W398-L450 HydrophobicContact CZ3-CB 3.98Å; W398-L450 HydrophobicContact CZ3-CD2 3.69Å; W398-L450 HydrophobicContact CZ3-CG 4.44Å; W398-Y923 AromaticContact CH2-CD1 3.75Å; W398-Y923 HydrophobicContact CH2-CD1 3.75Å; W398-Y923 HydrophobicContact CH2-CD2 4.13Å; W398-Y923 AromaticContact CH2-CE1 3.39Å; W398-Y923 HydrophobicContact CH2-CE1 3.39Å; W398-Y923 AromaticContact CH2-CE2 3.82Å; W398-Y923 HydrophobicContact CH2-CE2 3.82Å; W398-Y923 HydrophobicContact CH2-CG 4.1Å; W398-Y923 AromaticContact CH2-CZ 3.43Å; W398-Y923 VanDerWaalsContact CH2-CZ 3.43Å; W398-Y923 HydrophobicContact CZ2-CD1 4.18Å; W398-Y923 AromaticContact CZ2-CE1 3.41Å; W398-Y923 HydrophobicContact CZ2-CE1 3.41Å; W398-Y923 VanDerWaalsContact CZ2-CE1 3.41Å; W398-Y923 HydrophobicContact CZ2-CE2 4.26Å; W398-Y923 AromaticContact CZ2-CZ 3.45Å; W398-Y923 VanDerWaalsContact CZ2-CZ 3.45Å; W398-Y923 WeakPolarHBondContact CZ2-OH 3.33Å; W398-F933 HydrophobicContact CB-CE1 4.42Å; W398-F933 HydrophobicContact CB-CZ 4.4Å; W398-F933 AromaticContact CD1-CZ 3.94Å; W398-F933 HydrophobicContact CD2-CE1 4.34Å; W398-F933 AromaticContact CD2-CE2 3.87Å; W398-F933 HydrophobicContact CD2-CE2 3.87Å; W398-F933 AromaticContact CD2-CZ 3.52Å; W398-F933 HydrophobicContact CD2-CZ 3.52Å; W398-F933 AromaticContact CE2-CE2 3.57Å; W398-F933 AromaticContact CE2-CZ 3.75Å; W398-F933 HydrophobicContact CE3-CE2 4.39Å; W398-F933 AromaticContact CE3-CZ 3.95Å; W398-F933 HydrophobicContact CE3-CZ 3.95Å; W398-F933 HydrophobicContact CG-CE1 4.04Å; W398-F933 HydrophobicContact CG-CE2 4.27Å; W398-F933 AromaticContact CG-CZ 3.69Å; W398-F933 HydrophobicContact CG-CZ 3.69Å; W398-F933 HydrophobicContact CH2-CE2 4.36Å; W398-F933 AromaticContact CZ2-CE2 3.84Å; W398-F933 HydrophobicContact CZ2-CE2 3.84Å; W398-F933 HydrophobicContact CZ2-CZ 4.34Å; W398-F933 AromaticContact NE1-CE2 3.82Å
399R93.4Very high94.9Very high1 Ų125 Ų250%0.00411%0.111CC..Hα-helixtrans-62.3-43.5-179-70-57.5-165.4-166.16.1112.5L288 E289 V395 L396 C401 E402 C403L288-R399 HydrophobicContact CB-CB 4.07Å; L288-R399 HydrophobicContact CB-CG 4.46Å; L288-R399 WeakPolarHBondContact O-CD 3.34Å; E289-R399 VanDerWaalsContact CD-NH2 3.32Å; E289-R399 IonicContact OE1-CZ 3.85Å; E289-R399 IonicContact OE1-NH2 2.73Å; E289-R399 PolarHBondContact OE1-NH2 2.93Å; V395-R399 WeakPolarHBondContact O-CG 3.28Å; V395-R399 PolarHBondContact O-N 3.11Å; L396-R399 PolarHBondContact O-N 2.79Å; L396-R399 VanDerWaalsContact O-N 3.14Å; R399-C401 VanDerWaalsContact C-N 3.31Å; R399-C401 PolarHBondContact O-N 3.15Å; R399-E402 IonicContact NH1-OE2 3.32Å; R399-E402 PolarHBondContact NH1-OE2 3.15Å; R399-E402 VanDerWaalsContact NH1-OE2 3.12Å; R399-E402 CarbonylContact O-C 3.5Å; R399-E402 WeakPolarHBondContact O-CA 3.49Å; R399-E402 WeakPolarHBondContact O-CB 3.48Å; R399-E402 PolarHBondContact O-N 3.38Å; R399-C403 PolarHBondContact O-N 3.13Å; R399-C403 PolarHBondContact O-SG 3.2Å
400I96Very high95Very high1 Ų127 Ų271%0.00512%0.119CC..Hα-helixtrans-61.2-42.5176.6-61.6176.5000110.5M351 I363 I367 L396 F397 W398 E402 N404 F407M351-I400 HydrophobicContact CE-CD1 3.97Å; M351-I400 HydrophobicContact CE-CG1 3.82Å; M351-I400 HydrophobicContact CG-CG1 4.45Å; M351-I400 HydrophobicContact SD-CB 4.31Å; M351-I400 HydrophobicContact SD-CD1 4.32Å; M351-I400 HydrophobicContact SD-CG1 3.86Å; M351-I400 HydrophobicContact SD-CG2 3.79Å; I363-I400 HydrophobicContact CG2-CD1 3.88Å; I367-I400 HydrophobicContact CD1-CD1 4.03Å; L396-I400 HydrophobicContact CD1-CD1 3.92Å; L396-I400 HydrophobicContact CD1-CG1 4.04Å; L396-I400 HydrophobicContact CD2-CD1 4.42Å; L396-I400 HydrophobicContact CG-CD1 3.86Å; L396-I400 HydrophobicContact CG-CG1 4.34Å; L396-I400 WeakPolarHBondContact O-CG1 3.28Å; L396-I400 PolarHBondContact O-N 3.44Å; F397-I400 PolarHBondContact O-N 2.86Å; W398-I400 PolarHBondContact O-N 3.46Å; I400-E402 VanDerWaalsContact C-N 3.3Å; I400-E402 PolarHBondContact O-N 2.96Å; I400-N404 WeakPolarHBondContact O-CA 3.22Å; I400-N404 WeakPolarHBondContact O-CB 3.39Å; I400-N404 PolarHBondContact O-N 3.41Å; I400-F407 HydrophobicContact CB-CD1 4.31Å; I400-F407 HydrophobicContact CB-CE1 4.3Å; I400-F407 HydrophobicContact CG2-CB 4.25Å; I400-F407 HydrophobicContact CG2-CD1 3.4Å; I400-F407 HydrophobicContact CG2-CD2 4.26Å; I400-F407 HydrophobicContact CG2-CE1 3.67Å; I400-F407 HydrophobicContact CG2-CE2 4.49Å; I400-F407 HydrophobicContact CG2-CG 3.71Å; I400-F407 HydrophobicContact CG2-CZ 4.21Å
401C94Very high95Very high1 Ų125.9 Ų25.91%0.00711%0.114CC..Hα-helixtrans-66-26.7173.3-89.20000114.3F397 W398 R399 M408 L450F397-C401 WeakPolarHBondContact CZ-SG 3.41Å; F397-C401 WeakPolarHBondContact O-CB 3.39Å; F397-C401 PolarHBondContact O-N 3.01Å; W398-C401 CarbonylContact O-C 3.49Å; W398-C401 WeakPolarHBondContact O-CB 3.44Å; W398-C401 PolarHBondContact O-N 2.87Å; R399-C401 VanDerWaalsContact C-N 3.31Å; R399-C401 PolarHBondContact O-N 3.15Å; C401-M408 HydrophobicContact CB-CE 3.51Å; C401-M408 WeakPolarHBondContact SG-CE 3.05Å; C401-L450 HydrophobicContact CB-CD2 4.27Å
402E89.4Confident94.8Very high28 Ų2824.5 Ų24.513%0.13111%0.107CC..Hα-helixtrans-78.1-50.4175.3-171.8155.2-130.300111W398 R399 I400 K405 S925W398-E402 PolarHBondContact NE1-OE2 3.45Å; W398-E402 WeakPolarHBondContact O-CB 3.32Å; W398-E402 PolarHBondContact O-N 2.89Å; R399-E402 IonicContact NH1-OE2 3.32Å; R399-E402 PolarHBondContact NH1-OE2 3.15Å; R399-E402 VanDerWaalsContact NH1-OE2 3.12Å; R399-E402 CarbonylContact O-C 3.5Å; R399-E402 WeakPolarHBondContact O-CA 3.49Å; R399-E402 WeakPolarHBondContact O-CB 3.48Å; R399-E402 PolarHBondContact O-N 3.38Å; I400-E402 VanDerWaalsContact C-N 3.3Å; I400-E402 PolarHBondContact O-N 2.96Å; E402-K405 WeakPolarHBondContact O-CE 3.46Å; E402-K405 PolarHBondContact O-NZ 3.34Å; E402-S925 WeakPolarHBondContact OE1-CB 3.4Å
403C91.4Very high94.5Very high24 Ų2429.9 Ų29.916%0.16213%0.131CC..Hα-helixtrans-72-37-179.7-590000113.6M351 R399M351-C403 HydrophobicContact CG-CB 4.19Å; R399-C403 PolarHBondContact O-N 3.13Å; R399-C403 PolarHBondContact O-SG 3.2Å
404N95.2Very high94Very high3 Ų330.8 Ų30.82%0.01614%0.137CC..  trans-121.3101.1-172.3-167.8-31.5000112.7M351 I354 I400 K406 F407 M408M351-N404 WeakPolarHBondContact O-CB 3.12Å; M351-N404 PolarHBondContact O-ND2 3.29Å; I354-N404 PolarHBondContact O-ND2 2.88Å; I400-N404 WeakPolarHBondContact O-CA 3.22Å; I400-N404 WeakPolarHBondContact O-CB 3.39Å; I400-N404 PolarHBondContact O-N 3.41Å; N404-K406 VanDerWaalsContact C-N 3.31Å; N404-K406 PolarHBondContact O-N 2.88Å; N404-K406 WeakPolarHBondContact OD1-CA 3.44Å; N404-K406 VanDerWaalsContact OD1-CB 3.28Å; N404-K406 WeakPolarHBondContact OD1-CB 3.33Å; N404-K406 PolarHBondContact OD1-N 3Å; N404-F407 HydrophobicContact CB-CB 4.01Å; N404-F407 PolarHBondContact O-N 2.8Å; N404-F407 PolarHBondContact OD1-N 3.14Å; N404-M408 PolarHBondContact O-N 3.3Å; N404-M408 VanDerWaalsContact O-N 3.16Å
405K93.1Very high93.3Very high140 Ų14034.4 Ų34.461%0.60916%0.163SC*.Hα-helixtrans-71.4-22.6177.9-53.3-46.7-173.8-157.50113.4E402 Y409E402-K405 WeakPolarHBondContact O-CE 3.46Å; E402-K405 PolarHBondContact O-NZ 3.34Å; K405-Y409 WeakPolarHBondContact O-CB 3.49Å; K405-Y409 PolarHBondContact O-N 2.7Å; K405-Y409 VanDerWaalsContact O-N 3.07Å
406K96Very high92.8Very high111 Ų11137 Ų3748%0.48318%0.175SC..Hα-helixtrans-69.9-44.2173.4-56.9174.4-176.9173.50110H355 F360 N404 Y409 Y410H355-K406 HydrophobicContact CB-CD 3.6Å; F360-K406 HydrophobicContact CE2-CB 3.85Å; F360-K406 HydrophobicContact CZ-CB 3.7Å; N404-K406 VanDerWaalsContact C-N 3.31Å; N404-K406 PolarHBondContact O-N 2.88Å; N404-K406 WeakPolarHBondContact OD1-CA 3.44Å; N404-K406 VanDerWaalsContact OD1-CB 3.28Å; N404-K406 WeakPolarHBondContact OD1-CB 3.33Å; N404-K406 PolarHBondContact OD1-N 3Å; K406-Y409 PolarHBondContact O-N 3.22Å; K406-Y410 PolarHBondContact O-N 3.26Å
407F96.6Very high92.7Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-59.5-47.8173.1177.9-100.5000111.6F360 I363 L364 F397 I400 N404 Y409 Y410 V411F360-F407 HydrophobicContact CB-CD2 4.2Å; F360-F407 HydrophobicContact CD1-CB 4.04Å; F360-F407 AromaticContact CD1-CD2 3.64Å; F360-F407 HydrophobicContact CD1-CD2 3.64Å; F360-F407 HydrophobicContact CD1-CG 4.33Å; F360-F407 HydrophobicContact CE1-CB 3.7Å; F360-F407 HydrophobicContact CE1-CD2 4.18Å; F360-F407 HydrophobicContact CE1-CG 4.44Å; F360-F407 HydrophobicContact CG-CD2 4.04Å; F360-F407 HydrophobicContact CZ-CB 4.03Å; I363-F407 HydrophobicContact CB-CE2 4.14Å; I363-F407 HydrophobicContact CG2-CE2 3.77Å; I363-F407 HydrophobicContact CG2-CZ 3.96Å; L364-F407 HydrophobicContact CB-CE2 4.24Å; L364-F407 HydrophobicContact CB-CZ 4.43Å; L364-F407 HydrophobicContact CD1-CZ 4.35Å; F397-F407 HydrophobicContact CD2-CE1 4.24Å; F397-F407 AromaticContact CE2-CE1 3.87Å; F397-F407 HydrophobicContact CE2-CE1 3.87Å; F397-F407 HydrophobicContact CE2-CZ 4.27Å; I400-F407 HydrophobicContact CB-CD1 4.31Å; I400-F407 HydrophobicContact CB-CE1 4.3Å; I400-F407 HydrophobicContact CG2-CB 4.25Å; I400-F407 HydrophobicContact CG2-CD1 3.4Å; I400-F407 HydrophobicContact CG2-CD2 4.26Å; I400-F407 HydrophobicContact CG2-CE1 3.67Å; I400-F407 HydrophobicContact CG2-CE2 4.49Å; I400-F407 HydrophobicContact CG2-CG 3.71Å; I400-F407 HydrophobicContact CG2-CZ 4.21Å; N404-F407 HydrophobicContact CB-CB 4.01Å; N404-F407 PolarHBondContact O-N 2.8Å; N404-F407 PolarHBondContact OD1-N 3.14Å; F407-Y409 VanDerWaalsContact C-N 3.3Å; F407-Y409 PolarHBondContact O-N 2.96Å; F407-Y410 WeakPolarHBondContact O-CA 3.45Å; F407-Y410 WeakPolarHBondContact O-CB 3.45Å; F407-Y410 PolarHBondContact O-N 2.95Å; F407-Y410 VanDerWaalsContact O-N 3.08Å; F407-V411 HydrophobicContact CD1-CG2 3.93Å; F407-V411 HydrophobicContact CD2-CG2 4.41Å; F407-V411 HydrophobicContact CE1-CG2 3.53Å; F407-V411 HydrophobicContact CE2-CG2 4.04Å; F407-V411 HydrophobicContact CG-CG2 4.38Å; F407-V411 HydrophobicContact CZ-CG2 3.6Å; F407-V411 WeakPolarHBondContact O-CG2 3.33Å; F407-V411 PolarHBondContact O-N 3.02Å
408M93.6Very high92.5Very high22 Ų2237.1 Ų37.111%0.10818%0.176CC..Hα-helixtrans-52.8-47.8174.2173.359.383.900112C401 N404 Y410 V411 L412 L450 L451C401-M408 HydrophobicContact CB-CE 3.51Å; C401-M408 WeakPolarHBondContact SG-CE 3.05Å; N404-M408 PolarHBondContact O-N 3.3Å; N404-M408 VanDerWaalsContact O-N 3.16Å; M408-Y410 VanDerWaalsContact C-N 3.35Å; M408-Y410 PolarHBondContact O-N 3.19Å; M408-V411 PolarHBondContact O-N 3.49Å; M408-L412 HydrophobicContact CG-CD1 3.86Å; M408-L412 WeakPolarHBondContact O-CB 3.34Å; M408-L412 WeakPolarHBondContact O-CD1 3.3Å; M408-L412 VanDerWaalsContact O-CG 3.28Å; M408-L412 WeakPolarHBondContact O-CG 3.43Å; M408-L412 PolarHBondContact O-N 3.13Å; M408-L412 HydrophobicContact SD-CD1 3.66Å; M408-L412 HydrophobicContact SD-CG 4.05Å; M408-L450 HydrophobicContact CE-CD1 3.87Å; M408-L450 HydrophobicContact CE-CD2 3.48Å; M408-L450 VanDerWaalsContact CE-CD2 3.48Å; M408-L450 HydrophobicContact CE-CG 3.48Å; M408-L450 VanDerWaalsContact CE-CG 3.48Å; M408-L451 HydrophobicContact SD-CD2 4.24Å
409Y93.5Very high92.4Very high132 Ų13240 Ų4052%0.51819%0.191SC..Hα-helixtrans-65.1-36.2178-178-116000112.8K405 K406 F407 K413K405-Y409 WeakPolarHBondContact O-CB 3.49Å; K405-Y409 PolarHBondContact O-N 2.7Å; K405-Y409 VanDerWaalsContact O-N 3.07Å; K406-Y409 PolarHBondContact O-N 3.22Å; F407-Y409 VanDerWaalsContact C-N 3.3Å; F407-Y409 PolarHBondContact O-N 2.96Å; Y409-K413 HydrophobicContact CD1-CD 4.16Å; Y409-K413 HydrophobicContact CE1-CD 3.78Å; Y409-K413 VanDerWaalsContact CE1-CE 3.47Å; Y409-K413 VanDerWaalsContact CZ-CE 3.41Å; Y409-K413 WeakPolarHBondContact O-CB 3.06Å; Y409-K413 PolarHBondContact O-N 3.08Å; Y409-K413 VanDerWaalsContact OH-CE 3.26Å; Y409-K413 WeakPolarHBondContact OH-CE 3.35Å; Y409-K413 PolarHBondContact OH-NZ 2.77Å
410Y95.7Very high92.5Very high41 Ų4140 Ų4016%0.16119%0.191CC..Hα-helixtrans-63.5-50172.7179.4-86.8000111.8D357 F360 A361 L364 K406 F407 M408 L412 K413 S414D357-Y410 HydrophobicContact CB-CD2 4.38Å; D357-Y410 HydrophobicContact CB-CE2 3.83Å; D357-Y410 VanDerWaalsContact OD1-CD2 3.3Å; D357-Y410 WeakPolarHBondContact OD1-CD2 3.47Å; F360-Y410 HydrophobicContact CB-CD1 3.6Å; F360-Y410 HydrophobicContact CB-CD2 3.99Å; F360-Y410 HydrophobicContact CB-CE1 3.82Å; F360-Y410 HydrophobicContact CB-CE2 4.18Å; F360-Y410 HydrophobicContact CB-CG 3.71Å; F360-Y410 AromaticContact CD2-CD2 3.95Å; F360-Y410 HydrophobicContact CD2-CD2 3.95Å; F360-Y410 AromaticContact CD2-CG 3.82Å; F360-Y410 HydrophobicContact CD2-CG 3.82Å; F360-Y410 HydrophobicContact CG-CD1 4.44Å; F360-Y410 HydrophobicContact CG-CD2 4.49Å; F360-Y410 HydrophobicContact CG-CG 4.17Å; A361-Y410 WeakPolarHBondContact CB-OH 3.11Å; L364-Y410 HydrophobicContact CD2-CD1 4.33Å; L364-Y410 HydrophobicContact CD2-CE1 4.13Å; K406-Y410 PolarHBondContact O-N 3.26Å; F407-Y410 WeakPolarHBondContact O-CA 3.45Å; F407-Y410 WeakPolarHBondContact O-CB 3.45Å; F407-Y410 PolarHBondContact O-N 2.95Å; F407-Y410 VanDerWaalsContact O-N 3.08Å; M408-Y410 VanDerWaalsContact C-N 3.35Å; M408-Y410 PolarHBondContact O-N 3.19Å; Y410-L412 VanDerWaalsContact C-N 3.3Å; Y410-L412 PolarHBondContact O-N 3.27Å; Y410-K413 CarbonylContact O-C 3.59Å; Y410-K413 WeakPolarHBondContact O-CB 3.46Å; Y410-K413 PolarHBondContact O-N 3.25Å; Y410-S414 WeakPolarHBondContact O-CB 3.29Å; Y410-S414 PolarHBondContact O-N 3.36Å
411V95.3Very high92.5Very high0 Ų040 Ų400%019%0.191CC..Hα-helixtrans-54.3-48.8175.7174.70000110.4L364 F397 F407 M408 K413 S414 V417L364-V411 HydrophobicContact CD1-CG2 3.99Å; L364-V411 HydrophobicContact CD2-CB 4.46Å; L364-V411 HydrophobicContact CD2-CG2 3.99Å; F397-V411 HydrophobicContact CE2-CG1 4.4Å; F397-V411 HydrophobicContact CE2-CG2 4.16Å; F397-V411 HydrophobicContact CZ-CG1 4.21Å; F397-V411 HydrophobicContact CZ-CG2 4.5Å; F407-V411 HydrophobicContact CD1-CG2 3.93Å; F407-V411 HydrophobicContact CD2-CG2 4.41Å; F407-V411 HydrophobicContact CE1-CG2 3.53Å; F407-V411 HydrophobicContact CE2-CG2 4.04Å; F407-V411 HydrophobicContact CG-CG2 4.38Å; F407-V411 HydrophobicContact CZ-CG2 3.6Å; F407-V411 WeakPolarHBondContact O-CG2 3.33Å; F407-V411 PolarHBondContact O-N 3.02Å; M408-V411 PolarHBondContact O-N 3.49Å; V411-K413 VanDerWaalsContact C-N 3.3Å; V411-K413 PolarHBondContact O-N 2.85Å; V411-S414 WeakPolarHBondContact O-CB 3.37Å; V411-S414 PolarHBondContact O-N 2.68Å; V411-V417 HydrophobicContact CG1-CB 4.15Å; V411-V417 HydrophobicContact CG1-CG2 3.97Å
412L91.4Very high92.5Very high6 Ų640.6 Ų40.63%0.03120%0.195CC..Hα-helixtrans-68.4-25.6179.6-69.2165.7000113.6M408 Y410 L451 E454 N456 F457 R460M408-L412 HydrophobicContact CG-CD1 3.86Å; M408-L412 WeakPolarHBondContact O-CB 3.34Å; M408-L412 WeakPolarHBondContact O-CD1 3.3Å; M408-L412 VanDerWaalsContact O-CG 3.28Å; M408-L412 WeakPolarHBondContact O-CG 3.43Å; M408-L412 PolarHBondContact O-N 3.13Å; M408-L412 HydrophobicContact SD-CD1 3.66Å; M408-L412 HydrophobicContact SD-CG 4.05Å; Y410-L412 VanDerWaalsContact C-N 3.3Å; Y410-L412 PolarHBondContact O-N 3.27Å; L412-L451 HydrophobicContact CD2-CD2 3.87Å; L412-L451 HydrophobicContact CG-CD2 4.47Å; L412-E454 HydrophobicContact CD1-CB 3.78Å; L412-E454 HydrophobicContact CD1-CG 3.6Å; L412-E454 HydrophobicContact CD2-CB 4.03Å; L412-N456 HydrophobicContact CB-CB 4.28Å; L412-N456 WeakPolarHBondContact O-CB 3.42Å; L412-F457 HydrophobicContact CD2-CB 3.97Å; L412-R460 PolarHBondContact O-NE 2.98Å; L412-R460 VanDerWaalsContact O-NE 3.11Å; L412-R460 PolarHBondContact O-NH1 3.1Å; L412-R460 PolarHBondContact O-NH2 2.67Å
413K89.9Confident92.7Very high113 Ų11339.3 Ų39.349%0.49119%0.189SC..Hα-helixtrans-77.3-37.3170.7-91.2-179.3160.1-1800112.2Y409 Y410 V411 R460Y409-K413 HydrophobicContact CD1-CD 4.16Å; Y409-K413 HydrophobicContact CE1-CD 3.78Å; Y409-K413 VanDerWaalsContact CE1-CE 3.47Å; Y409-K413 VanDerWaalsContact CZ-CE 3.41Å; Y409-K413 WeakPolarHBondContact O-CB 3.06Å; Y409-K413 PolarHBondContact O-N 3.08Å; Y409-K413 VanDerWaalsContact OH-CE 3.26Å; Y409-K413 WeakPolarHBondContact OH-CE 3.35Å; Y409-K413 PolarHBondContact OH-NZ 2.77Å; Y410-K413 CarbonylContact O-C 3.59Å; Y410-K413 WeakPolarHBondContact O-CB 3.46Å; Y410-K413 PolarHBondContact O-N 3.25Å; V411-K413 VanDerWaalsContact C-N 3.3Å; V411-K413 PolarHBondContact O-N 2.85Å; K413-R460 PolarHBondContact O-NE 3.42Å; K413-R460 PolarHBondContact O-NH2 3.14Å
414S87.6Confident93Very high19 Ų1938.3 Ų38.313%0.13318%0.182CC..SBendtrans-61.6159.3-178.8-171.60000112.3Y410 V411 Q416 R460Y410-S414 WeakPolarHBondContact O-CB 3.29Å; Y410-S414 PolarHBondContact O-N 3.36Å; V411-S414 WeakPolarHBondContact O-CB 3.37Å; V411-S414 PolarHBondContact O-N 2.68Å; S414-Q416 VanDerWaalsContact C-N 3.31Å; S414-Q416 WeakPolarHBondContact OG-CB 3.19Å; S414-Q416 WeakPolarHBondContact OG-CG 3.3Å; S414-Q416 PolarHBondContact OG-N 3.41Å; S414-Q416 VanDerWaalsContact OG-N 3.09Å; S414-R460 WeakPolarHBondContact O-CD 3.42Å; S414-R460 PolarHBondContact O-NE 3.38Å
415S82.2Confident93Very high79 Ų7938.1 Ų38.155%0.55218%0.181SC*.SBendtrans-78.3-20.4164.753.30000112V417 L418S415-V417 PolarHBondContact O-N 3.48Å; S415-L418 PolarHBondContact O-N 2.91Å
416Q86.3Confident93.1Very high53 Ų5333.6 Ų33.625%0.24816%0.16CC..THydrogen-bonded Turntrans-68.9-11.6-175.9-64.3173.41.200114.3L364 S414 L418 D419 L420L364-Q416 HydrophobicContact CD2-CB 3.92Å; L364-Q416 VanDerWaalsContact CD2-OE1 3.31Å; L364-Q416 HydrophobicContact CG-CB 4.33Å; S414-Q416 VanDerWaalsContact C-N 3.31Å; S414-Q416 WeakPolarHBondContact OG-CB 3.19Å; S414-Q416 WeakPolarHBondContact OG-CG 3.3Å; S414-Q416 PolarHBondContact OG-N 3.41Å; S414-Q416 VanDerWaalsContact OG-N 3.09Å; Q416-L418 PolarHBondContact O-N 2.89Å; Q416-L418 VanDerWaalsContact O-N 3.12Å; Q416-D419 WeakPolarHBondContact CA-OD2 3.36Å; Q416-D419 CarbonylContact O-C 3.56Å; Q416-D419 WeakPolarHBondContact O-CA 3.37Å; Q416-D419 WeakPolarHBondContact O-CB 3.44Å; Q416-D419 PolarHBondContact O-N 3.01Å; Q416-L420 PolarHBondContact O-N 2.92Å
417V93.9Very high93Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-59.5-23.1172.670.90000112.8V411 S415 L421 L451 F457 R460V411-V417 HydrophobicContact CG1-CB 4.15Å; V411-V417 HydrophobicContact CG1-CG2 3.97Å; S415-V417 PolarHBondContact O-N 3.48Å; V417-L421 WeakPolarHBondContact O-CB 3.31Å; V417-L421 PolarHBondContact O-N 2.83Å; V417-L451 HydrophobicContact CG2-CD1 4.3Å; V417-L451 HydrophobicContact CG2-CD2 4.18Å; V417-F457 HydrophobicContact CG2-CD2 3.81Å; V417-F457 HydrophobicContact CG2-CE2 4.2Å; V417-R460 HydrophobicContact CG1-CB 4.45Å
418L94Very high92.9Very high4 Ų429.1 Ų29.12%0.02114%0.141CC..Hα-helixtrans-79-32.1172.8-61.2176.3000112.2S415 Q416 L420 L421 V422 R460 L461 K463 H480S415-L418 PolarHBondContact O-N 2.91Å; Q416-L418 PolarHBondContact O-N 2.89Å; Q416-L418 VanDerWaalsContact O-N 3.12Å; L418-L420 PolarHBondContact O-N 3.02Å; L418-L421 HydrophobicContact CD2-CD2 3.85Å; L418-L421 WeakPolarHBondContact O-CB 3.44Å; L418-L421 PolarHBondContact O-N 3.37Å; L418-L421 VanDerWaalsContact O-N 3.14Å; L418-V422 WeakPolarHBondContact O-CG2 3.32Å; L418-V422 PolarHBondContact O-N 2.91Å; L418-V422 VanDerWaalsContact O-N 3.13Å; L418-R460 HydrophobicContact CD1-CB 4.5Å; L418-R460 HydrophobicContact CD2-CB 4.41Å; L418-L461 HydrophobicContact CD2-CD2 4.04Å; L418-K463 HydrophobicContact CD1-CB 3.63Å; L418-K463 HydrophobicContact CD1-CD 3.32Å; L418-K463 HydrophobicContact CD1-CG 4.11Å; L418-H480 HydrophobicContact CD2-CB 4.05Å
419D92Very high93Very high63 Ų6328.1 Ų28.134%0.33714%0.136SC..Hα-helixtrans-73.8-19.3175.4-48.7-39.2000110.7N372 Q416 P423N372-D419 PolarHBondContact ND2-O 3.39Å; Q416-D419 WeakPolarHBondContact CA-OD2 3.36Å; Q416-D419 CarbonylContact O-C 3.56Å; Q416-D419 WeakPolarHBondContact O-CA 3.37Å; Q416-D419 WeakPolarHBondContact O-CB 3.44Å; Q416-D419 PolarHBondContact O-N 3.01Å; D419-P423 WeakPolarHBondContact O-CD 3.42Å; D419-P423 VanDerWaalsContact O-CG 3.29Å; D419-P423 WeakPolarHBondContact O-CG 3.29Å
420L95.1Very high92.9Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-80-39.2163.1-174.176.1000112.9I367 T368 L371 F397 Q416 L418 P423 I424 L451I367-L420 HydrophobicContact CG2-CD1 4.47Å; T368-L420 HydrophobicContact CG2-CB 4.11Å; T368-L420 HydrophobicContact CG2-CD1 4.29Å; L371-L420 HydrophobicContact CD1-CD1 3.64Å; F397-L420 HydrophobicContact CD1-CD2 4.19Å; F397-L420 HydrophobicContact CD2-CD1 4.21Å; F397-L420 HydrophobicContact CD2-CD2 4.17Å; F397-L420 HydrophobicContact CE1-CD2 3.62Å; F397-L420 HydrophobicContact CE2-CD1 4.35Å; F397-L420 HydrophobicContact CE2-CD2 3.58Å; F397-L420 HydrophobicContact CG-CD1 4.43Å; F397-L420 HydrophobicContact CG-CD2 4.46Å; F397-L420 HydrophobicContact CZ-CD2 3.28Å; Q416-L420 PolarHBondContact O-N 2.92Å; L418-L420 PolarHBondContact O-N 3.02Å; L420-P423 WeakPolarHBondContact O-CD 3.38Å; L420-P423 WeakPolarHBondContact O-CG 3.24Å; L420-I424 HydrophobicContact CD1-CD1 4.44Å; L420-I424 HydrophobicContact CD2-CD1 4.34Å; L420-I424 HydrophobicContact CG-CD1 3.9Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 2.95Å; L420-L451 HydrophobicContact CD2-CD1 4.13Å
421L95.7Very high92.8Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-61.9-45.5-177175.661.6000113.1V417 L418 I424 L425 L448 F457 L461 H480V417-L421 WeakPolarHBondContact O-CB 3.31Å; V417-L421 PolarHBondContact O-N 2.83Å; L418-L421 HydrophobicContact CD2-CD2 3.85Å; L418-L421 WeakPolarHBondContact O-CB 3.44Å; L418-L421 PolarHBondContact O-N 3.37Å; L418-L421 VanDerWaalsContact O-N 3.14Å; L421-I424 PolarHBondContact O-N 3.27Å; L421-L425 HydrophobicContact CD1-CD1 3.67Å; L421-L425 HydrophobicContact CD1-CG 3.9Å; L421-L425 HydrophobicContact CG-CD1 3.84Å; L421-L425 HydrophobicContact CG-CG 4.4Å; L421-L425 WeakPolarHBondContact O-CG 3.08Å; L421-L425 PolarHBondContact O-N 3.31Å; L421-L448 HydrophobicContact CD1-CD2 3.4Å; L421-F457 HydrophobicContact CD1-CE2 4.38Å; L421-F457 HydrophobicContact CD1-CZ 4.01Å; L421-F457 HydrophobicContact CD2-CE2 4.44Å; L421-F457 HydrophobicContact CD2-CZ 4.44Å; L421-L461 HydrophobicContact CD2-CD2 3.7Å; L421-L461 HydrophobicContact CD2-CG 4.25Å; L421-H480 HydrophobicContact CD2-CB 3.99Å
422V94.3Very high92.7Very high15 Ų1525.1 Ų25.19%0.09113%0.129CC..Hα-helixtrans-63.2-48.2-175.5-177.90000112.9L375 L418 I424 L425 Y426 Y465 L471 L483L375-V422 HydrophobicContact CD1-CB 4.47Å; L375-V422 HydrophobicContact CD1-CG1 3.78Å; L418-V422 WeakPolarHBondContact O-CG2 3.32Å; L418-V422 PolarHBondContact O-N 2.91Å; L418-V422 VanDerWaalsContact O-N 3.13Å; V422-I424 PolarHBondContact O-N 3.3Å; V422-L425 PolarHBondContact O-N 3.49Å; V422-Y426 WeakPolarHBondContact O-CB 3.2Å; V422-Y426 PolarHBondContact O-N 3.13Å; V422-Y465 HydrophobicContact CG1-CE2 4.16Å; V422-Y465 HydrophobicContact CG2-CD2 4.44Å; V422-Y465 HydrophobicContact CG2-CE2 3.88Å; V422-L471 HydrophobicContact CG1-CD1 4.32Å; V422-L483 HydrophobicContact CG1-CD2 4.47Å; V422-L483 HydrophobicContact CG2-CD2 4.3Å
423P94.4Very high92.5Very high1 Ų129.9 Ų29.91%0.00616%0.155CC..Hα-helixtrans-65.9-35176.124.7-33.8000113.2L371 L375 D419 L420 Y426 H427L371-P423 HydrophobicContact CB-CB 4.07Å; L371-P423 HydrophobicContact CB-CG 3.97Å; L371-P423 WeakPolarHBondContact O-CB 3.43Å; L375-P423 HydrophobicContact CD1-CB 3.98Å; D419-P423 WeakPolarHBondContact O-CD 3.42Å; D419-P423 VanDerWaalsContact O-CG 3.29Å; D419-P423 WeakPolarHBondContact O-CG 3.29Å; L420-P423 WeakPolarHBondContact O-CD 3.38Å; L420-P423 WeakPolarHBondContact O-CG 3.24Å; P423-Y426 WeakPolarHBondContact O-CB 3.44Å; P423-Y426 PolarHBondContact O-N 3.39Å; P423-H427 PolarHBondContact O-CD2 2.93Å; P423-H427 PolarHBondContact O-N 3.33Å
424I97Very high92.4Very high2 Ų227 Ų271%0.0115%0.145CC..Hα-helixtrans-57.9-52.6171.5-68.1170.7000109.9L394 L420 L421 V422 Y426 H427 L428 I447 L448L394-I424 HydrophobicContact CD2-CD1 4.16Å; L394-I424 HydrophobicContact CD2-CG1 3.71Å; L420-I424 HydrophobicContact CD1-CD1 4.44Å; L420-I424 HydrophobicContact CD2-CD1 4.34Å; L420-I424 HydrophobicContact CG-CD1 3.9Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 2.95Å; L421-I424 PolarHBondContact O-N 3.27Å; V422-I424 PolarHBondContact O-N 3.3Å; I424-Y426 VanDerWaalsContact C-N 3.28Å; I424-Y426 PolarHBondContact O-N 2.98Å; I424-H427 PolarHBondContact O-N 3.14Å; I424-L428 HydrophobicContact CG2-CD1 4.09Å; I424-L428 HydrophobicContact CG2-CG 4.24Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.16Å; I424-I447 HydrophobicContact CD1-CB 4.34Å; I424-I447 HydrophobicContact CD1-CG2 3.63Å; I424-L448 HydrophobicContact CG2-CD1 4.02Å; I424-L448 HydrophobicContact CG2-CD2 4.32Å; I424-L448 HydrophobicContact CG2-CG 4.01Å
425L96.1Very high92.4Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-63.4-31.6-179.9-68.3176.9000113.1L421 V422 L428 N429 L448 L471 L483 L484 V487L421-L425 HydrophobicContact CD1-CD1 3.67Å; L421-L425 HydrophobicContact CD1-CG 3.9Å; L421-L425 HydrophobicContact CG-CD1 3.84Å; L421-L425 HydrophobicContact CG-CG 4.4Å; L421-L425 WeakPolarHBondContact O-CG 3.08Å; L421-L425 PolarHBondContact O-N 3.31Å; V422-L425 PolarHBondContact O-N 3.49Å; L425-L428 HydrophobicContact CD2-CD1 4.4Å; L425-N429 WeakPolarHBondContact O-CB 3.43Å; L425-N429 PolarHBondContact O-N 2.94Å; L425-L448 HydrophobicContact CD2-CD1 3.85Å; L425-L471 HydrophobicContact CB-CD2 4.39Å; L425-L483 HydrophobicContact CD1-CB 4.26Å; L425-L483 HydrophobicContact CD1-CD2 3.9Å; L425-L483 HydrophobicContact CD1-CG 3.94Å; L425-L484 HydrophobicContact CD1-CB 4.21Å; L425-L484 HydrophobicContact CD2-CD1 3.88Å; L425-V487 HydrophobicContact CB-CG1 4.5Å; L425-V487 HydrophobicContact CB-CG2 4.32Å; L425-V487 HydrophobicContact CD2-CB 4.1Å; L425-V487 HydrophobicContact CD2-CG1 3.97Å
426Y94.3Very high92.5Very high45 Ų4529.3 Ų29.318%0.17615%0.151CC..Hα-helixtrans-64-51.4171.4167.8-96.8000111.9P374 L375 V422 P423 I424 L428 N429 N430 L470 L471P374-Y426 HydrophobicContact CB-CD1 4.44Å; P374-Y426 HydrophobicContact CB-CE1 3.69Å; L375-Y426 HydrophobicContact CD2-CD1 4.24Å; L375-Y426 HydrophobicContact CD2-CD2 3.47Å; L375-Y426 VanDerWaalsContact CD2-CD2 3.47Å; L375-Y426 HydrophobicContact CD2-CE2 3.88Å; L375-Y426 HydrophobicContact CD2-CG 3.67Å; L375-Y426 HydrophobicContact CG-CD1 4.48Å; L375-Y426 HydrophobicContact CG-CG 4.29Å; V422-Y426 WeakPolarHBondContact O-CB 3.2Å; V422-Y426 PolarHBondContact O-N 3.13Å; P423-Y426 WeakPolarHBondContact O-CB 3.44Å; P423-Y426 PolarHBondContact O-N 3.39Å; I424-Y426 VanDerWaalsContact C-N 3.28Å; I424-Y426 PolarHBondContact O-N 2.98Å; Y426-L428 VanDerWaalsContact C-N 3.35Å; Y426-L428 PolarHBondContact O-N 2.91Å; Y426-N429 PolarHBondContact O-N 3.41Å; Y426-N430 WeakPolarHBondContact CE2-ND2 3.45Å; Y426-N430 VanDerWaalsContact CZ-ND2 3.27Å; Y426-N430 WeakPolarHBondContact O-CB 3.4Å; Y426-N430 PolarHBondContact O-N 2.93Å; Y426-L470 HydrophobicContact CE2-CB 4.49Å; Y426-L471 HydrophobicContact CD2-CD1 4.15Å; Y426-L471 HydrophobicContact CD2-CG 4.11Å
427H94.2Very high92.6Very high15 Ų1531.9 Ų31.97%0.06916%0.159CC..Hα-helixtrans-63.3-39.9178.8-75.6-66.7000112H390 P423 I424 S431 L440H390-H427 AromaticContact CD2-CE1 3.15Å; H390-H427 PolarHBondContact CD2-CE1 3.19Å; H390-H427 AromaticContact CD2-CG 3.75Å; H390-H427 AromaticContact CD2-ND1 3.13Å; H390-H427 PolarHBondContact CD2-ND1 2.7Å; H390-H427 AromaticContact CD2-NE2 3.77Å; H390-H427 AromaticContact CG-CE1 3.53Å; H390-H427 AromaticContact CG-ND1 3.98Å; H390-H427 AromaticContact CG-NE2 4Å; H390-H427 AromaticContact NE2-CE1 3.78Å; H390-H427 AromaticContact NE2-ND1 3.53Å; P423-H427 PolarHBondContact O-CD2 2.93Å; P423-H427 PolarHBondContact O-N 3.33Å; I424-H427 PolarHBondContact O-N 3.14Å; H427-S431 WeakPolarHBondContact O-CB 3.49Å; H427-S431 PolarHBondContact O-N 3.16Å; H427-S431 VanDerWaalsContact O-N 3.08Å; H427-S431 PolarHBondContact O-OG 3.4Å; H427-L440 HydrophobicContact CB-CD1 4.33Å; H427-L440 HydrophobicContact CB-CD2 4.33Å
428L95.6Very high92.4Very high2 Ų232.2 Ų32.21%0.0116%0.16CC..Hα-helixtrans-60.8-52.1172.5-68.6-173.3000111.9I424 L425 Y426 N430 S431 R432 I441 V445 L448 V487 L491I424-L428 HydrophobicContact CG2-CD1 4.09Å; I424-L428 HydrophobicContact CG2-CG 4.24Å; I424-L428 VanDerWaalsContact O-CG 3.3Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 3.16Å; L425-L428 HydrophobicContact CD2-CD1 4.4Å; Y426-L428 VanDerWaalsContact C-N 3.35Å; Y426-L428 PolarHBondContact O-N 2.91Å; L428-N430 VanDerWaalsContact C-N 3.34Å; L428-N430 PolarHBondContact O-N 3.06Å; L428-S431 PolarHBondContact O-N 2.92Å; L428-R432 PolarHBondContact O-N 3.41Å; L428-I441 HydrophobicContact CD2-CB 4.22Å; L428-I441 HydrophobicContact CD2-CG1 4.45Å; L428-I441 HydrophobicContact CD2-CG2 4.07Å; L428-I441 WeakPolarHBondContact CD2-O 3.34Å; L428-V445 HydrophobicContact CD1-CG2 4.05Å; L428-V445 HydrophobicContact CD2-CG2 4.26Å; L428-L448 HydrophobicContact CD1-CD1 3.67Å; L428-V487 HydrophobicContact CB-CG1 4.26Å; L428-L491 HydrophobicContact CB-CD1 4.29Å; L428-L491 HydrophobicContact CD1-CD1 4.3Å
429N94.3Very high92.2Very high0 Ų032.1 Ų32.10%016%0.161CC..Hα-helixtrans-63.6-37.7-176.9-179.573.4000112.9L425 Y426 R432 D472 V487 R490L425-N429 WeakPolarHBondContact O-CB 3.43Å; L425-N429 PolarHBondContact O-N 2.94Å; Y426-N429 PolarHBondContact O-N 3.41Å; N429-R432 PolarHBondContact ND2-NH1 2.95Å; N429-R432 WeakPolarHBondContact O-CD 3.45Å; N429-R432 WeakPolarHBondContact O-CG 3.45Å; N429-R432 PolarHBondContact O-NH1 2.92Å; N429-D472 PolarHBondContact ND2-O 3.02Å; N429-D472 PolarHBondContact OD1-O 3.12Å; N429-V487 HydrophobicContact CB-CG1 4.05Å; N429-V487 HydrophobicContact CB-CG2 4.12Å; N429-R490 VanDerWaalsContact OD1-CD 3.32Å; N429-R490 WeakPolarHBondContact OD1-CD 3.28Å
430N92.2Very high92.3Very high71 Ų7129.2 Ų29.238%0.3815%0.145SC..Hα-helixtrans-78.7-29.2-178.9-68.96.5000112.1Y426 L428Y426-N430 WeakPolarHBondContact CE2-ND2 3.45Å; Y426-N430 VanDerWaalsContact CZ-ND2 3.27Å; Y426-N430 WeakPolarHBondContact O-CB 3.4Å; Y426-N430 PolarHBondContact O-N 2.93Å; L428-N430 VanDerWaalsContact C-N 3.34Å; L428-N430 PolarHBondContact O-N 3.06Å
431S92.4Very high92.3Very high3 Ų329.2 Ų29.22%0.02115%0.145CC..Hα-helixtrans-81.4-16.1179.6-56.40000114.1H427 L428 N433 D434 R437 L440H427-S431 WeakPolarHBondContact O-CB 3.49Å; H427-S431 PolarHBondContact O-N 3.16Å; H427-S431 VanDerWaalsContact O-N 3.08Å; H427-S431 PolarHBondContact O-OG 3.4Å; L428-S431 PolarHBondContact O-N 2.92Å; S431-N433 PolarHBondContact O-N 3.41Å; S431-D434 PolarHBondContact O-N 3.23Å; S431-R437 WeakPolarHBondContact OG-CD 3.3Å; S431-L440 WeakPolarHBondContact OG-CD2 3.38Å
432R93.1Very high92.2Very high36 Ų3629.6 Ų29.614%0.13615%0.147CC..THydrogen-bonded Turntrans-48.2-27.8-169.473.2-175.8-173.2-101.83.8117.2L428 N429 D472 R490 L491 G495 H496L428-R432 PolarHBondContact O-N 3.41Å; N429-R432 PolarHBondContact ND2-NH1 2.95Å; N429-R432 WeakPolarHBondContact O-CD 3.45Å; N429-R432 WeakPolarHBondContact O-CG 3.45Å; N429-R432 PolarHBondContact O-NH1 2.92Å; R432-D472 IonicContact CZ-OD2 2.81Å; R432-D472 VanDerWaalsContact CZ-OD2 3.27Å; R432-D472 IonicContact NH1-OD2 2.78Å; R432-D472 PolarHBondContact NH1-OD2 3.48Å; R432-D472 IonicContact NH2-OD2 3.12Å; R432-D472 PolarHBondContact NH2-OD2 3.45Å; R432-R490 VanDerWaalsContact CZ-NH1 3.27Å; R432-L491 HydrophobicContact CB-CD2 3.8Å; R432-G495 VanDerWaalsContact O-CA 3.3Å; R432-G495 WeakPolarHBondContact O-CA 3.45Å; R432-H496 PolarHBondContact O-CD2 3.43Å; R432-H496 PolarHBondContact O-N 3.04Å
433N88.8Confident92.2Very high107 Ų10728.9 Ų28.957%0.57214%0.142SC*.THydrogen-bonded Turntrans-99.8-11.3-178.4-72.93000113.1S431 S494S431-N433 PolarHBondContact O-N 3.41Å; N433-S494 PolarHBondContact OD1-O 3.25Å; N433-S494 VanDerWaalsContact OD1-O 3.11Å
434D87.9Confident92.3Very high51 Ų5128.9 Ų28.927%0.27314%0.143SC..  trans-102.3103.2-170.8-175.6-13.4000110.2S431 S436 R437S431-D434 PolarHBondContact O-N 3.23Å; D434-S436 VanDerWaalsContact CG-OG 3.28Å; D434-S436 PolarHBondContact O-N 2.93Å; D434-S436 VanDerWaalsContact OD1-CB 3.32Å; D434-S436 WeakPolarHBondContact OD1-CB 3.38Å; D434-S436 PolarHBondContact OD1-N 3.05Å; D434-S436 PolarHBondContact OD1-OG 3.21Å; D434-S436 PolarHBondContact OD2-OG 3.45Å; D434-R437 HydrophobicContact CB-CB 4.4Å; D434-R437 HydrophobicContact CB-CG 4.23Å; D434-R437 PolarHBondContact O-N 3.01Å; D434-R437 WeakPolarHBondContact OD2-CD 3.49Å; D434-R437 IonicContact OD2-CZ 2.87Å; D434-R437 IonicContact OD2-NE 2.84Å; D434-R437 PolarHBondContact OD2-NE 2.85Å; D434-R437 IonicContact OD2-NH2 2.94Å
435Q87Confident92.3Very high90 Ų9028.8 Ų28.842%0.42114%0.142SC..G310 helixtrans-64.7-18.7-177.9-63.4-167.855.200113.5R437 I438 H496 R498 Q712Q435-R437 VanDerWaalsContact C-N 3.31Å; Q435-I438 WeakPolarHBondContact O-CG2 3.12Å; Q435-H496 HydrophobicContact CG-CB 4.09Å; Q435-R498 VanDerWaalsContact OE1-CD 3.22Å; Q435-Q712 PolarHBondContact O-NE2 2.85Å; Q435-Q712 PolarHBondContact O-OE1 2.81Å
436S83.4Confident92.2Very high58 Ų5828.8 Ų28.841%0.40614%0.142SC..G310 helixtrans-68.4-33.5173.374.80000111.7D434 I438D434-S436 VanDerWaalsContact CG-OG 3.28Å; D434-S436 PolarHBondContact O-N 2.93Å; D434-S436 VanDerWaalsContact OD1-CB 3.32Å; D434-S436 WeakPolarHBondContact OD1-CB 3.38Å; D434-S436 PolarHBondContact OD1-N 3.05Å; D434-S436 PolarHBondContact OD1-OG 3.21Å; D434-S436 PolarHBondContact OD2-OG 3.45Å; S436-I438 VanDerWaalsContact C-N 3.33Å; S436-I438 PolarHBondContact O-N 3.08Å
437R88.9Confident92.3Very high107 Ų10726.7 Ų26.740%0.40413%0.134SC..G310 helixtrans-89.810-176.9-60.3-180-160.5-110.6-8114.2S431 D434 Q435 G439 L440 I441S431-R437 WeakPolarHBondContact OG-CD 3.3Å; D434-R437 HydrophobicContact CB-CB 4.4Å; D434-R437 HydrophobicContact CB-CG 4.23Å; D434-R437 PolarHBondContact O-N 3.01Å; D434-R437 WeakPolarHBondContact OD2-CD 3.49Å; D434-R437 IonicContact OD2-CZ 2.87Å; D434-R437 IonicContact OD2-NE 2.84Å; D434-R437 PolarHBondContact OD2-NE 2.85Å; D434-R437 IonicContact OD2-NH2 2.94Å; Q435-R437 VanDerWaalsContact C-N 3.31Å; R437-G439 PolarHBondContact O-N 2.86Å; R437-G439 VanDerWaalsContact O-N 3.11Å; R437-L440 WeakPolarHBondContact O-CB 3.29Å; R437-L440 PolarHBondContact O-N 3.22Å; R437-I441 PolarHBondContact O-N 3.28Å; R437-I441 VanDerWaalsContact O-N 3.13Å
438I89.9Confident92.4Very high6 Ų626 Ų263%0.03113%0.131CC..Hα-helixtrans-53.8-33178.6-172.7177000112.7Q435 S436 I441 H442 R498 L499 L715Q435-I438 WeakPolarHBondContact O-CG2 3.12Å; S436-I438 VanDerWaalsContact C-N 3.33Å; S436-I438 PolarHBondContact O-N 3.08Å; I438-I441 PolarHBondContact O-N 3.35Å; I438-H442 PolarHBondContact O-N 2.99Å; I438-H442 VanDerWaalsContact O-N 3.08Å; I438-H442 PolarHBondContact O-ND1 3.12Å; I438-R498 HydrophobicContact CD1-CB 3.46Å; I438-R498 VanDerWaalsContact CD1-CB 3.46Å; I438-R498 HydrophobicContact CD1-CG 4.45Å; I438-L499 HydrophobicContact CG1-CD2 4.23Å; I438-L715 HydrophobicContact CG2-CD1 3.73Å
439G90.6Very high92.4Very high3 Ų325.9 Ų25.93%0.03113%0.13CC..Hα-helixtrans-65.5-44.3175.400000113.7R437 I441 H442 V443 Y936R437-G439 PolarHBondContact O-N 2.86Å; R437-G439 VanDerWaalsContact O-N 3.11Å; G439-I441 VanDerWaalsContact C-N 3.25Å; G439-I441 PolarHBondContact O-N 2.94Å; G439-H442 PolarHBondContact O-N 3.06Å; G439-H442 VanDerWaalsContact O-N 3.12Å; G439-V443 PolarHBondContact O-N 2.85Å; G439-Y936 VanDerWaalsContact C-CE2 3.47Å
440L93.9Very high92.4Very high1 Ų127.5 Ų27.51%0.00514%0.139CC..Hα-helixtrans-59.5-37.4172.7169.160.6000111.7H390 Q391 L394 H427 S431 R437 G444 Y936H390-L440 VanDerWaalsContact NE2-CD2 3.33Å; H390-L440 WeakPolarHBondContact NE2-CD2 3.37Å; Q391-L440 HydrophobicContact CG-CB 4.38Å; Q391-L440 HydrophobicContact CG-CD1 4.28Å; Q391-L440 HydrophobicContact CG-CD2 4.38Å; L394-L440 HydrophobicContact CD1-CD1 3.54Å; H427-L440 HydrophobicContact CB-CD1 4.33Å; H427-L440 HydrophobicContact CB-CD2 4.33Å; S431-L440 WeakPolarHBondContact OG-CD2 3.38Å; R437-L440 WeakPolarHBondContact O-CB 3.29Å; R437-L440 PolarHBondContact O-N 3.22Å; L440-G444 PolarHBondContact O-N 3.45Å; L440-Y936 VanDerWaalsContact CA-OH 3.28Å; L440-Y936 WeakPolarHBondContact CA-OH 3.44Å; L440-Y936 PolarHBondContact N-OH 3.23Å
441I94.9Very high92.5Very high1 Ų124.1 Ų24.11%0.00512%0.12CC..Hα-helixtrans-63.9-43.9175.2-60.8172000110.9L428 R437 I438 G439 V445 L491 L499 L502L428-I441 HydrophobicContact CD2-CB 4.22Å; L428-I441 HydrophobicContact CD2-CG1 4.45Å; L428-I441 HydrophobicContact CD2-CG2 4.07Å; L428-I441 WeakPolarHBondContact CD2-O 3.34Å; R437-I441 PolarHBondContact O-N 3.28Å; R437-I441 VanDerWaalsContact O-N 3.13Å; I438-I441 PolarHBondContact O-N 3.35Å; G439-I441 VanDerWaalsContact C-N 3.25Å; G439-I441 PolarHBondContact O-N 2.94Å; I441-V445 HydrophobicContact CG2-CG2 4.44Å; I441-V445 WeakPolarHBondContact O-CB 3.5Å; I441-V445 VanDerWaalsContact O-CG2 3.29Å; I441-V445 WeakPolarHBondContact O-CG2 3.24Å; I441-V445 PolarHBondContact O-N 2.83Å; I441-L491 HydrophobicContact CG2-CD2 4.3Å; I441-L499 HydrophobicContact CB-CD2 4.39Å; I441-L499 HydrophobicContact CD1-CD1 4.2Å; I441-L499 HydrophobicContact CD1-CD2 3.88Å; I441-L499 HydrophobicContact CG2-CD2 3.89Å; I441-L502 HydrophobicContact CG2-CD1 3.73Å
442H93.7Very high92.7Very high7 Ų724 Ų243%0.03212%0.12CC..Hα-helixtrans-63.2-48.2177.1-76.880.4000112.3I438 G439 G444 V445 F446 L502 W932I438-H442 PolarHBondContact O-N 2.99Å; I438-H442 VanDerWaalsContact O-N 3.08Å; I438-H442 PolarHBondContact O-ND1 3.12Å; G439-H442 PolarHBondContact O-N 3.06Å; G439-H442 VanDerWaalsContact O-N 3.12Å; H442-G444 PolarHBondContact O-N 2.99Å; H442-V445 PolarHBondContact O-N 3.12Å; H442-F446 HydrophobicContact CB-CE2 3.99Å; H442-F446 HydrophobicContact CB-CZ 4.01Å; H442-F446 AromaticContact CD2-CZ 3.76Å; H442-F446 WeakPolarHBondContact O-CB 3.31Å; H442-F446 WeakPolarHBondContact O-CD1 3.48Å; H442-F446 WeakPolarHBondContact O-CD2 3.37Å; H442-F446 WeakPolarHBondContact O-CG 3.42Å; H442-F446 PolarHBondContact O-N 2.98Å; H442-L502 VanDerWaalsContact CD2-CD2 3.46Å; H442-L502 WeakPolarHBondContact CD2-CD2 3.42Å; H442-W932 HydrophobicContact CB-CH2 3.43Å; H442-W932 VanDerWaalsContact CB-CH2 3.43Å; H442-W932 HydrophobicContact CB-CZ2 3.39Å; H442-W932 HydrophobicContact CB-CZ3 4.35Å; H442-W932 AromaticContact CG-CZ2 3.95Å
443V94.4Very high92.7Very high0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-59.9-46.6177.51760000111.8L394 V395 G439 V445 F446 I447 W932 F933 Y936L394-V443 HydrophobicContact CB-CG1 3.74Å; V395-V443 HydrophobicContact CG2-CG2 4.47Å; G439-V443 PolarHBondContact O-N 2.85Å; V443-V445 VanDerWaalsContact C-N 3.33Å; V443-V445 PolarHBondContact O-N 3.1Å; V443-F446 PolarHBondContact O-N 3.17Å; V443-I447 HydrophobicContact CG1-CD1 3.71Å; V443-I447 HydrophobicContact CG1-CG1 4.32Å; V443-I447 WeakPolarHBondContact O-CG1 3.37Å; V443-I447 PolarHBondContact O-N 3.45Å; V443-W932 HydrophobicContact CG2-CH2 3.7Å; V443-W932 HydrophobicContact CG2-CZ3 3.7Å; V443-F933 HydrophobicContact CB-CE1 4.37Å; V443-F933 HydrophobicContact CG1-CE1 4.05Å; V443-F933 HydrophobicContact CG1-CZ 4.42Å; V443-F933 HydrophobicContact CG2-CD1 4.24Å; V443-F933 HydrophobicContact CG2-CE1 3.56Å; V443-F933 HydrophobicContact CG2-CZ 4.15Å; V443-Y936 HydrophobicContact CB-CE1 4.37Å; V443-Y936 HydrophobicContact CG2-CD1 3.69Å; V443-Y936 HydrophobicContact CG2-CE1 3.28Å
444G96.8Very high92.9Very high1 Ų120.8 Ų20.81%0.0110%0.103CC..Hα-helixtrans-60.8-41.5178.200000112.3L440 H442 L448L440-G444 PolarHBondContact O-N 3.45Å; H442-G444 PolarHBondContact O-N 2.99Å; G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.1Å; G444-L448 PolarHBondContact O-N 3.08Å
445V96.2Very high93.2Very high0 Ų026.3 Ų26.30%012%0.12CC..Hα-helixtrans-68.8-36.8175.9173.50000112.1L428 I441 H442 V443 L448 L449 L502 C505 L506 I509L428-V445 HydrophobicContact CD1-CG2 4.05Å; L428-V445 HydrophobicContact CD2-CG2 4.26Å; I441-V445 HydrophobicContact CG2-CG2 4.44Å; I441-V445 WeakPolarHBondContact O-CB 3.5Å; I441-V445 VanDerWaalsContact O-CG2 3.29Å; I441-V445 WeakPolarHBondContact O-CG2 3.24Å; I441-V445 PolarHBondContact O-N 2.83Å; H442-V445 PolarHBondContact O-N 3.12Å; V443-V445 VanDerWaalsContact C-N 3.33Å; V443-V445 PolarHBondContact O-N 3.1Å; V445-L448 PolarHBondContact O-N 3.06Å; V445-L449 WeakPolarHBondContact O-CB 3.44Å; V445-L449 PolarHBondContact O-N 2.67Å; V445-L502 HydrophobicContact CB-CD1 4.47Å; V445-L502 HydrophobicContact CB-CD2 4.36Å; V445-L502 HydrophobicContact CG1-CD2 4.01Å; V445-L502 HydrophobicContact CG2-CD1 4.28Å; V445-C505 HydrophobicContact CG1-CB 3.71Å; V445-L506 HydrophobicContact CG1-CD2 4.19Å; V445-L506 HydrophobicContact CG1-CG 4.41Å; V445-L506 HydrophobicContact CG2-CD2 3.73Å; V445-L506 HydrophobicContact CG2-CG 4.41Å; V445-I509 HydrophobicContact CG1-CD1 3.93Å
446F94.1Very high93.5Very high1 Ų124.9 Ų24.90%0.00412%0.116CC..Hα-helixtrans-67.9-41.1176.1-60.4-20.3000112.1W398 H442 V443 L448 L449 L450 L502 V718 M724 W932 F933W398-F446 HydrophobicContact CE3-CB 4.43Å; W398-F446 HydrophobicContact CH2-CB 4.27Å; W398-F446 HydrophobicContact CZ3-CB 3.8Å; H442-F446 HydrophobicContact CB-CE2 3.99Å; H442-F446 HydrophobicContact CB-CZ 4.01Å; H442-F446 AromaticContact CD2-CZ 3.76Å; H442-F446 WeakPolarHBondContact O-CB 3.31Å; H442-F446 WeakPolarHBondContact O-CD1 3.48Å; H442-F446 WeakPolarHBondContact O-CD2 3.37Å; H442-F446 WeakPolarHBondContact O-CG 3.42Å; H442-F446 PolarHBondContact O-N 2.98Å; V443-F446 PolarHBondContact O-N 3.17Å; F446-L448 VanDerWaalsContact C-N 3.31Å; F446-L448 PolarHBondContact O-N 2.88Å; F446-L449 WeakPolarHBondContact O-CB 3.46Å; F446-L449 PolarHBondContact O-N 3.44Å; F446-L450 WeakPolarHBondContact O-CB 3.25Å; F446-L450 PolarHBondContact O-N 3.02Å; F446-L502 HydrophobicContact CE1-CD2 4.05Å; F446-V718 HydrophobicContact CE1-CG1 4.43Å; F446-V718 HydrophobicContact CZ-CG1 3.79Å; F446-M724 HydrophobicContact CD1-CE 3.72Å; F446-M724 HydrophobicContact CD2-CE 4.16Å; F446-M724 HydrophobicContact CE1-CE 3.5Å; F446-M724 HydrophobicContact CE1-SD 4.04Å; F446-M724 HydrophobicContact CE2-CE 3.96Å; F446-M724 HydrophobicContact CG-CE 4.06Å; F446-M724 HydrophobicContact CZ-CE 3.64Å; F446-M724 HydrophobicContact CZ-SD 4.21Å; F446-W932 HydrophobicContact CD2-CE3 4.43Å; F446-W932 HydrophobicContact CD2-CZ3 4.16Å; F446-W932 HydrophobicContact CE2-CD2 4.3Å; F446-W932 AromaticContact CE2-CE3 3.81Å; F446-W932 HydrophobicContact CE2-CE3 3.81Å; F446-W932 HydrophobicContact CE2-CH2 4.27Å; F446-W932 AromaticContact CE2-CZ3 3.8Å; F446-W932 HydrophobicContact CE2-CZ3 3.8Å; F446-F933 AromaticContact CD2-CE2 3.95Å; F446-F933 HydrophobicContact CD2-CE2 3.95Å; F446-F933 HydrophobicContact CD2-CZ 4.16Å
447I95.6Very high94.1Very high0 Ų022.1 Ų22.10%010%0.096CC..Hα-helixtrans-60.3-43172.9-67.4165.4000110.5L394 F397 W398 I424 V443 L450 L451L394-I447 HydrophobicContact CB-CD1 3.9Å; L394-I447 HydrophobicContact CD2-CD1 3.81Å; L394-I447 HydrophobicContact CG-CD1 4.4Å; F397-I447 HydrophobicContact CD1-CD1 4.22Å; F397-I447 HydrophobicContact CD1-CG1 4.39Å; F397-I447 HydrophobicContact CD1-CG2 4.04Å; F397-I447 HydrophobicContact CE1-CG2 3.81Å; W398-I447 HydrophobicContact CE3-CG1 3.92Å; I424-I447 HydrophobicContact CD1-CB 4.34Å; I424-I447 HydrophobicContact CD1-CG2 3.63Å; V443-I447 HydrophobicContact CG1-CD1 3.71Å; V443-I447 HydrophobicContact CG1-CG1 4.32Å; V443-I447 WeakPolarHBondContact O-CG1 3.37Å; V443-I447 PolarHBondContact O-N 3.45Å; I447-L450 PolarHBondContact O-N 3.42Å; I447-L451 HydrophobicContact CG2-CD1 3.88Å; I447-L451 HydrophobicContact CG2-CG 4.38Å; I447-L451 WeakPolarHBondContact O-CB 3.43Å; I447-L451 WeakPolarHBondContact O-CG 3.25Å; I447-L451 PolarHBondContact O-N 2.92Å
448L97Very high94.4Very high0 Ų017.1 Ų17.10%08%0.078CC..Hα-helixtrans-65.6-36.7175.3-67.9174.1000112.5L421 I424 L425 L428 G444 V445 F446 S452 F457 L484 I509L421-L448 HydrophobicContact CD1-CD2 3.4Å; I424-L448 HydrophobicContact CG2-CD1 4.02Å; I424-L448 HydrophobicContact CG2-CD2 4.32Å; I424-L448 HydrophobicContact CG2-CG 4.01Å; L425-L448 HydrophobicContact CD2-CD1 3.85Å; L428-L448 HydrophobicContact CD1-CD1 3.67Å; G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.1Å; G444-L448 PolarHBondContact O-N 3.08Å; V445-L448 PolarHBondContact O-N 3.06Å; F446-L448 VanDerWaalsContact C-N 3.31Å; F446-L448 PolarHBondContact O-N 2.88Å; L448-S452 WeakPolarHBondContact O-CB 3.4Å; L448-S452 PolarHBondContact O-N 3.49Å; L448-S452 PolarHBondContact O-OG 2.9Å; L448-F457 HydrophobicContact CD2-CZ 4.24Å; L448-L484 HydrophobicContact CD1-CD1 4.12Å; L448-I509 HydrophobicContact CB-CD1 3.72Å; L448-I509 HydrophobicContact CB-CG1 4.34Å; L448-I509 HydrophobicContact CB-CG2 4.49Å
449L95.4Very high94.7Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-62.1-47.6173.617962.5000110.9V445 F446 S452 G453 T508 I509 L721 T725 Y923V445-L449 WeakPolarHBondContact O-CB 3.44Å; V445-L449 PolarHBondContact O-N 2.67Å; F446-L449 WeakPolarHBondContact O-CB 3.46Å; F446-L449 PolarHBondContact O-N 3.44Å; L449-S452 PolarHBondContact O-N 2.98Å; L449-S452 PolarHBondContact O-OG 3.07Å; L449-G453 PolarHBondContact O-N 3.39Å; L449-T508 HydrophobicContact CD1-CG2 3.63Å; L449-I509 HydrophobicContact CB-CD1 4.23Å; L449-I509 HydrophobicContact CB-CG1 4.11Å; L449-I509 HydrophobicContact CD1-CG1 4.31Å; L449-L721 HydrophobicContact CD2-CD1 3.74Å; L449-T725 HydrophobicContact CD1-CG2 4.32Å; L449-T725 HydrophobicContact CD2-CG2 4.22Å; L449-Y923 HydrophobicContact CD2-CD2 4.31Å
450L93.3Very high94.9Very high34 Ų3422.7 Ų22.718%0.17811%0.105CC..Hα-helixtrans-59-48.7177.3178.960.5000111.9W398 C401 M408 F446 I447 G453 Y923W398-L450 HydrophobicContact CE3-CD2 3.88Å; W398-L450 HydrophobicContact CH2-CD2 4.22Å; W398-L450 HydrophobicContact CZ3-CB 3.98Å; W398-L450 HydrophobicContact CZ3-CD2 3.69Å; W398-L450 HydrophobicContact CZ3-CG 4.44Å; C401-L450 HydrophobicContact CB-CD2 4.27Å; M408-L450 HydrophobicContact CE-CD1 3.87Å; M408-L450 HydrophobicContact CE-CD2 3.48Å; M408-L450 VanDerWaalsContact CE-CD2 3.48Å; M408-L450 HydrophobicContact CE-CG 3.48Å; M408-L450 VanDerWaalsContact CE-CG 3.48Å; F446-L450 WeakPolarHBondContact O-CB 3.25Å; F446-L450 PolarHBondContact O-N 3.02Å; I447-L450 PolarHBondContact O-N 3.42Å; L450-G453 PolarHBondContact O-N 2.9Å; L450-Y923 HydrophobicContact CD1-CD1 4.05Å; L450-Y923 HydrophobicContact CD1-CG 4.45Å
451L95.2Very high95.1Very high0 Ų022.6 Ų22.60%010%0.104CC..Hα-helixtrans-68.2-35.8176.8-67.1172.2000112.8M408 L412 V417 L420 I447 G453 E454 F457M408-L451 HydrophobicContact SD-CD2 4.24Å; L412-L451 HydrophobicContact CD2-CD2 3.87Å; L412-L451 HydrophobicContact CG-CD2 4.47Å; V417-L451 HydrophobicContact CG2-CD1 4.3Å; V417-L451 HydrophobicContact CG2-CD2 4.18Å; L420-L451 HydrophobicContact CD2-CD1 4.13Å; I447-L451 HydrophobicContact CG2-CD1 3.88Å; I447-L451 HydrophobicContact CG2-CG 4.38Å; I447-L451 WeakPolarHBondContact O-CB 3.43Å; I447-L451 WeakPolarHBondContact O-CG 3.25Å; I447-L451 PolarHBondContact O-N 2.92Å; L451-G453 PolarHBondContact O-N 3.14Å; L451-E454 PolarHBondContact O-N 3.3Å; L451-F457 HydrophobicContact CB-CD1 4.32Å; L451-F457 HydrophobicContact CB-CD2 3.93Å; L451-F457 HydrophobicContact CB-CE1 4.36Å; L451-F457 HydrophobicContact CB-CE2 3.98Å; L451-F457 HydrophobicContact CB-CG 4.09Å; L451-F457 HydrophobicContact CB-CZ 4.19Å; L451-F457 HydrophobicContact CD1-CE2 4.12Å; L451-F457 VanDerWaalsContact O-CB 3.26Å; L451-F457 WeakPolarHBondContact O-CB 3.5Å
452S96.4Very high95.1Very high1 Ų124.2 Ų24.21%0.00711%0.113CC..Hα-helixtrans-63-26.1179.176.40000113.1L448 L449 E454 N512L448-S452 WeakPolarHBondContact O-CB 3.4Å; L448-S452 PolarHBondContact O-N 3.49Å; L448-S452 PolarHBondContact O-OG 2.9Å; L449-S452 PolarHBondContact O-N 2.98Å; L449-S452 PolarHBondContact O-OG 3.07Å; S452-E454 PolarHBondContact O-N 3.07Å; S452-N512 WeakPolarHBondContact O-CB 3.48Å; S452-N512 PolarHBondContact OG-ND2 2.85Å
453G93.4Very high95.2Very high2 Ų228.6 Ų28.62%0.02113%0.132CC..THydrogen-bonded Turntrans-650.1178.100000115.1L449 L450 L451 I920 K922L449-G453 PolarHBondContact O-N 3.39Å; L450-G453 PolarHBondContact O-N 2.9Å; L451-G453 PolarHBondContact O-N 3.14Å; G453-I920 VanDerWaalsContact O-CG2 3.27Å; G453-I920 WeakPolarHBondContact O-CG2 3.43Å; G453-K922 WeakPolarHBondContact O-CE 3.34Å
454E92.7Very high95.2Very high73 Ų7332.5 Ų32.534%0.34116%0.157SC..SBendtrans-129.1125.1-175.6-66.7-66.6173.700113L412 L451 S452 N456 F457 K922L412-E454 HydrophobicContact CD1-CB 3.78Å; L412-E454 HydrophobicContact CD1-CG 3.6Å; L412-E454 HydrophobicContact CD2-CB 4.03Å; L451-E454 PolarHBondContact O-N 3.3Å; S452-E454 PolarHBondContact O-N 3.07Å; E454-N456 PolarHBondContact O-N 3.2Å; E454-F457 WeakPolarHBondContact O-CB 3.41Å; E454-F457 PolarHBondContact O-N 3.39Å; E454-K922 IonicContact OE1-NZ 3.46Å; E454-K922 PolarHBondContact OE1-NZ 2.71Å; E454-K922 IonicContact OE2-NZ 2.72Å; E454-K922 PolarHBondContact OE2-NZ 2.68Å
455R94.2Very high95Very high168 Ų16832.8 Ų32.863%0.63416%0.158SC*.Hα-helixtrans-48.7-36.4-179.1172.6173.7179.6-172.6-0.1113.1F457 G458 V459 Y516R455-F457 VanDerWaalsContact C-N 3.29Å; R455-F457 PolarHBondContact O-N 3.32Å; R455-G458 PolarHBondContact O-N 3.2Å; R455-V459 HydrophobicContact CG-CG2 4.16Å; R455-V459 WeakPolarHBondContact O-CG2 3.26Å; R455-V459 PolarHBondContact O-N 3.05Å; R455-Y516 HydrophobicContact CB-CE1 4.32Å; R455-Y516 HydrophobicContact CB-CE2 4.19Å; R455-Y516 HydrophobicContact CG-CD1 4.19Å; R455-Y516 HydrophobicContact CG-CE1 3.67Å; R455-Y516 HydrophobicContact CG-CE2 4.29Å
456N93.5Very high94.4Very high60 Ų6042.6 Ų42.632%0.32120%0.195SC..Hα-helixtrans-59-37-180-98.7-32.5000113.1L412 E454 R460L412-N456 HydrophobicContact CB-CB 4.28Å; L412-N456 WeakPolarHBondContact O-CB 3.42Å; E454-N456 PolarHBondContact O-N 3.2Å; N456-R460 VanDerWaalsContact CG-NH1 3.32Å; N456-R460 WeakPolarHBondContact O-CD 3.43Å; N456-R460 VanDerWaalsContact O-CG 3.29Å; N456-R460 WeakPolarHBondContact O-CG 3.02Å; N456-R460 PolarHBondContact O-N 2.68Å; N456-R460 PolarHBondContact O-NH1 3.25Å; N456-R460 PolarHBondContact OD1-NH1 3.46Å
457F96.1Very high93.4Very high0 Ų049.1 Ų49.10%023%0.225CC..Hα-helixtrans-69.1-53.4176.6177.4-106.3000110.8L412 V417 L421 L448 L451 E454 R455 V459 R460 L461 V513L412-F457 HydrophobicContact CD2-CB 3.97Å; V417-F457 HydrophobicContact CG2-CD2 3.81Å; V417-F457 HydrophobicContact CG2-CE2 4.2Å; L421-F457 HydrophobicContact CD1-CE2 4.38Å; L421-F457 HydrophobicContact CD1-CZ 4.01Å; L421-F457 HydrophobicContact CD2-CE2 4.44Å; L421-F457 HydrophobicContact CD2-CZ 4.44Å; L448-F457 HydrophobicContact CD2-CZ 4.24Å; L451-F457 HydrophobicContact CB-CD1 4.32Å; L451-F457 HydrophobicContact CB-CD2 3.93Å; L451-F457 HydrophobicContact CB-CE1 4.36Å; L451-F457 HydrophobicContact CB-CE2 3.98Å; L451-F457 HydrophobicContact CB-CG 4.09Å; L451-F457 HydrophobicContact CB-CZ 4.19Å; L451-F457 HydrophobicContact CD1-CE2 4.12Å; L451-F457 VanDerWaalsContact O-CB 3.26Å; L451-F457 WeakPolarHBondContact O-CB 3.5Å; E454-F457 WeakPolarHBondContact O-CB 3.41Å; E454-F457 PolarHBondContact O-N 3.39Å; R455-F457 VanDerWaalsContact C-N 3.29Å; R455-F457 PolarHBondContact O-N 3.32Å; F457-V459 VanDerWaalsContact C-N 3.26Å; F457-V459 PolarHBondContact O-N 3.2Å; F457-R460 PolarHBondContact O-N 2.96Å; F457-L461 HydrophobicContact CD1-CD1 4.49Å; F457-L461 HydrophobicContact CD1-CD2 4Å; F457-L461 HydrophobicContact CD2-CD2 3.93Å; F457-L461 HydrophobicContact CE1-CD1 4.06Å; F457-L461 HydrophobicContact CE1-CD2 3.77Å; F457-L461 HydrophobicContact CE2-CD2 3.69Å; F457-L461 HydrophobicContact CG-CD2 4.1Å; F457-L461 HydrophobicContact CZ-CD1 4.49Å; F457-L461 HydrophobicContact CZ-CD2 3.61Å; F457-L461 WeakPolarHBondContact O-CD2 3.41Å; F457-L461 PolarHBondContact O-N 3.04Å; F457-V513 HydrophobicContact CD1-CG1 3.83Å; F457-V513 HydrophobicContact CE1-CG1 4.03Å
458G96Very high92Very high1 Ų154.2 Ų54.21%0.0125%0.245CC..Hα-helixtrans-57.7-34.9179.700000114R455 N462R455-G458 PolarHBondContact O-N 3.2Å; G458-N462 PolarHBondContact O-ND2 3.26Å
459V95.4Very high90.4Very high67 Ų6757.8 Ų57.841%0.40627%0.269SS..Hα-helixtrans-68.4-39.9173.11720000112.1R455 F457 N462 Y516R455-V459 HydrophobicContact CG-CG2 4.16Å; R455-V459 WeakPolarHBondContact O-CG2 3.26Å; R455-V459 PolarHBondContact O-N 3.05Å; F457-V459 VanDerWaalsContact C-N 3.26Å; F457-V459 PolarHBondContact O-N 3.2Å; V459-N462 PolarHBondContact O-N 3.19Å; V459-N462 PolarHBondContact O-ND2 3.32Å; V459-Y516 HydrophobicContact CG2-CD1 4.28Å; V459-Y516 HydrophobicContact CG2-CG 4.29Å
460R95.3Very high89.1Confident59 Ų5960.6 Ų60.622%0.22328%0.284CS..Hα-helixtrans-69.9-30.1-179.1-77.1165.2-179.764.42.1113.3L412 K413 S414 V417 L418 N456 F457 N462 K463L412-R460 PolarHBondContact O-NE 2.98Å; L412-R460 VanDerWaalsContact O-NE 3.11Å; L412-R460 PolarHBondContact O-NH1 3.1Å; L412-R460 PolarHBondContact O-NH2 2.67Å; K413-R460 PolarHBondContact O-NE 3.42Å; K413-R460 PolarHBondContact O-NH2 3.14Å; S414-R460 WeakPolarHBondContact O-CD 3.42Å; S414-R460 PolarHBondContact O-NE 3.38Å; V417-R460 HydrophobicContact CG1-CB 4.45Å; L418-R460 HydrophobicContact CD1-CB 4.5Å; L418-R460 HydrophobicContact CD2-CB 4.41Å; N456-R460 VanDerWaalsContact CG-NH1 3.32Å; N456-R460 WeakPolarHBondContact O-CD 3.43Å; N456-R460 VanDerWaalsContact O-CG 3.29Å; N456-R460 WeakPolarHBondContact O-CG 3.02Å; N456-R460 PolarHBondContact O-N 2.68Å; N456-R460 PolarHBondContact O-NH1 3.25Å; N456-R460 PolarHBondContact OD1-NH1 3.46Å; F457-R460 PolarHBondContact O-N 2.96Å; R460-N462 PolarHBondContact O-N 3.36Å; R460-K463 WeakPolarHBondContact O-CB 3.49Å; R460-K463 PolarHBondContact O-N 3.26Å
461L96.9Very high88.2Confident0 Ų059.4 Ų59.40%028%0.278CS..THydrogen-bonded Turntrans-54.2-22.2176.5-103.9178.5000114.1L418 L421 F457 K463 T479 H480 A481 L484 V513 L517L418-L461 HydrophobicContact CD2-CD2 4.04Å; L421-L461 HydrophobicContact CD2-CD2 3.7Å; L421-L461 HydrophobicContact CD2-CG 4.25Å; F457-L461 HydrophobicContact CD1-CD1 4.49Å; F457-L461 HydrophobicContact CD1-CD2 4Å; F457-L461 HydrophobicContact CD2-CD2 3.93Å; F457-L461 HydrophobicContact CE1-CD1 4.06Å; F457-L461 HydrophobicContact CE1-CD2 3.77Å; F457-L461 HydrophobicContact CE2-CD2 3.69Å; F457-L461 HydrophobicContact CG-CD2 4.1Å; F457-L461 HydrophobicContact CZ-CD1 4.49Å; F457-L461 HydrophobicContact CZ-CD2 3.61Å; F457-L461 WeakPolarHBondContact O-CD2 3.41Å; F457-L461 PolarHBondContact O-N 3.04Å; L461-K463 PolarHBondContact O-N 3.45Å; L461-T479 WeakPolarHBondContact O-CB 3.43Å; L461-H480 CarbonylContact O-C 3.48Å; L461-H480 WeakPolarHBondContact O-CA 3.46Å; L461-H480 WeakPolarHBondContact O-CB 3.21Å; L461-H480 PolarHBondContact O-N 3.44Å; L461-A481 HydrophobicContact CB-CB 4.09Å; L461-A481 HydrophobicContact CD1-CB 4.41Å; L461-A481 HydrophobicContact CG-CB 4.49Å; L461-A481 PolarHBondContact O-N 3.26Å; L461-L484 HydrophobicContact CD1-CD2 3.62Å; L461-V513 HydrophobicContact CD1-CB 4.26Å; L461-V513 HydrophobicContact CD1-CG1 4.15Å; L461-V513 HydrophobicContact CD1-CG2 4.15Å; L461-L517 HydrophobicContact CB-CD2 4.43Å; L461-L517 HydrophobicContact CD1-CD2 4.42Å
462N96.5Very high87.6Confident34 Ų3463.2 Ų63.218%0.18230%0.298CS..THydrogen-bonded Turntrans-70.4-9.1175.8-61.2-61.8000114.8G458 V459 R460 T479 Y516 K518G458-N462 PolarHBondContact O-ND2 3.26Å; V459-N462 PolarHBondContact O-N 3.19Å; V459-N462 PolarHBondContact O-ND2 3.32Å; R460-N462 PolarHBondContact O-N 3.36Å; N462-T479 WeakPolarHBondContact O-CG2 3.37Å; N462-Y516 PolarHBondContact ND2-O 3.22Å; N462-Y516 PolarHBondContact OD1-O 2.97Å; N462-K518 PolarHBondContact OD1-N 2.99Å; N462-K518 PolarHBondContact OD1-O 3.45Å
463K95.3Very high87Confident99 Ų9964.3 Ų64.343%0.4331%0.305SS..SBendtrans-57.6133.8174.2-171-175.3-178.1-171.20109.2L418 R460 L461 Y465 T479 H480L418-K463 HydrophobicContact CD1-CB 3.63Å; L418-K463 HydrophobicContact CD1-CD 3.32Å; L418-K463 HydrophobicContact CD1-CG 4.11Å; R460-K463 WeakPolarHBondContact O-CB 3.49Å; R460-K463 PolarHBondContact O-N 3.26Å; L461-K463 PolarHBondContact O-N 3.45Å; K463-Y465 PolarHBondContact O-N 2.95Å; K463-T479 WeakPolarHBondContact O-CA 3.48Å; K463-H480 PolarHBondContact O-N 2.81Å; K463-H480 VanDerWaalsContact O-N 3.15Å; K463-H480 PolarHBondContact O-ND1 3.2Å
464P94.7Very high86.5Confident82 Ų8266.6 Ų66.653%0.53232%0.319SS..BIsolated β-bridgetrans-58.2135.7176.4-2735.5000112.5H480P464-H480 PolarHBondContact O-CE1 3.46Å
465Y91.4Very high86.1Confident8 Ų868.9 Ų68.93%0.03134%0.338CS..PPolyproline II helixtrans-95.3125.9178.2-179.6-110.1000111V422 K463 H467 F476 G478 T479 H480 L483V422-Y465 HydrophobicContact CG1-CE2 4.16Å; V422-Y465 HydrophobicContact CG2-CD2 4.44Å; V422-Y465 HydrophobicContact CG2-CE2 3.88Å; K463-Y465 PolarHBondContact O-N 2.95Å; Y465-H467 HydrophobicContact CE2-CB 4.35Å; Y465-H467 PolarHBondContact OH-O 3.38Å; Y465-F476 HydrophobicContact CD1-CE1 4.33Å; Y465-F476 HydrophobicContact CD1-CE2 4.19Å; Y465-F476 AromaticContact CD1-CZ 3.59Å; Y465-F476 HydrophobicContact CD1-CZ 3.59Å; Y465-F476 HydrophobicContact CE1-CE1 4.49Å; Y465-F476 HydrophobicContact CE1-CZ 4.13Å; Y465-F476 HydrophobicContact CG-CZ 4.45Å; Y465-G478 PolarHBondContact N-O 3.14Å; Y465-T479 WeakPolarHBondContact CB-O 3.39Å; Y465-H480 AromaticContact CD2-CD2 3.92Å; Y465-H480 AromaticContact CD2-NE2 3.73Å; Y465-L483 HydrophobicContact CD1-CD1 4.31Å; Y465-L483 HydrophobicContact CD2-CD2 4.16Å; Y465-L483 HydrophobicContact CE1-CD1 3.74Å; Y465-L483 HydrophobicContact CE1-CD2 4.14Å; Y465-L483 HydrophobicContact CE1-CG 4.46Å; Y465-L483 HydrophobicContact CE2-CD2 3.63Å
466R85.1Confident85.8Confident205 Ų20561.3 Ų61.377%0.77431%0.31SS*.  trans-116.2-24.6-172.5-65.2-177.5176.2175.2-1.9114.4R468R466-R468 PolarHBondContact O-N 2.91Å; R466-R468 VanDerWaalsContact O-N 3.08Å
467H72.1Confident85.7Confident138 Ų13863.6 Ų63.664%0.63933%0.326SS*.  trans-89.965-166.7-57.7-83.2000113Y465 S469Y465-H467 HydrophobicContact CE2-CB 4.35Å; Y465-H467 PolarHBondContact OH-O 3.38Å; H467-S469 VanDerWaalsContact C-N 3.3Å; H467-S469 PolarHBondContact O-N 2.93Å
468R66.8Low85.5Confident108 Ų10864.5 Ų64.541%0.40834%0.336SS..THydrogen-bonded Turntrans-73.1-11.6-169-57.2-174.6-168.3172.46.7116.1R466 L470 F476R466-R468 PolarHBondContact O-N 2.91Å; R466-R468 VanDerWaalsContact O-N 3.08Å; R468-L470 PolarHBondContact O-N 2.77Å; R468-F476 PolarHBondContact NE-O 3.46Å; R468-F476 VanDerWaalsContact NE-O 3.13Å; R468-F476 PolarHBondContact NH1-O 3.39Å; R468-F476 PolarHBondContact NH2-O 3.43Å
469S62.6Low85.5Confident74 Ų7464.7 Ų64.752%0.51734%0.337SS..THydrogen-bonded Turntrans-86.4-4.5-15340.80000117.1Q377 H467Q377-S469 PolarHBondContact OE1-OG 2.75Å; H467-S469 VanDerWaalsContact C-N 3.3Å; H467-S469 PolarHBondContact O-N 2.93Å
470L67.5Low85.6Confident59 Ų5961.9 Ų61.931%0.30932%0.319SS..SBendtrans-129.4-14.3-176-72.8-176.7000116.3L375 Q377 Y426 R468L375-L470 VanDerWaalsContact CA-CD1 3.48Å; L375-L470 HydrophobicContact CB-CD1 4.27Å; L375-L470 HydrophobicContact CD2-CB 3.86Å; L375-L470 HydrophobicContact CD2-CD1 3.93Å; L375-L470 WeakPolarHBondContact O-CD1 3.22Å; Q377-L470 HydrophobicContact CG-CD1 3.63Å; Q377-L470 HydrophobicContact CG-CD2 4.18Å; Q377-L470 HydrophobicContact CG-CG 3.86Å; Y426-L470 HydrophobicContact CE2-CB 4.49Å; R468-L470 PolarHBondContact O-N 2.77Å
471L76.1Confident85.7Confident10 Ų1059.1 Ų59.15%0.05231%0.309CS..SBendtrans-88.7124.1169-75.682.5000108.2L375 V422 L425 Y426 V473 L483 V487L375-L471 HydrophobicContact CD2-CD1 4.22Å; V422-L471 HydrophobicContact CG1-CD1 4.32Å; L425-L471 HydrophobicContact CB-CD2 4.39Å; Y426-L471 HydrophobicContact CD2-CD1 4.15Å; Y426-L471 HydrophobicContact CD2-CG 4.11Å; L471-V473 HydrophobicContact CB-CG1 4.18Å; L471-V473 HydrophobicContact CB-CG2 4.03Å; L471-V473 PolarHBondContact O-N 3.21Å; L471-L483 HydrophobicContact CD2-CD1 4.18Å; L471-L483 HydrophobicContact CD2-CD2 4.4Å; L471-L483 HydrophobicContact CD2-CG 4.5Å; L471-V487 HydrophobicContact CD2-CG2 4.3Å
472D81.9Confident85.7Confident80 Ų8059.1 Ų59.143%0.42831%0.309SS..  trans-62.590.8160.1158.334.6000108N429 R432 R490N429-D472 PolarHBondContact ND2-O 3.02Å; N429-D472 PolarHBondContact OD1-O 3.12Å; R432-D472 IonicContact CZ-OD2 2.81Å; R432-D472 VanDerWaalsContact CZ-OD2 3.27Å; R432-D472 IonicContact NH1-OD2 2.78Å; R432-D472 PolarHBondContact NH1-OD2 3.48Å; R432-D472 IonicContact NH2-OD2 3.12Å; R432-D472 PolarHBondContact NH2-OD2 3.45Å; D472-R490 PolarHBondContact O-NH1 3.09Å; D472-R490 PolarHBondContact O-NH2 3.3Å; D472-R490 IonicContact OD1-CZ 2.67Å; D472-R490 IonicContact OD1-NH1 3.81Å; D472-R490 PolarHBondContact OD1-NH1 3.12Å; D472-R490 VanDerWaalsContact OD1-NH1 3.11Å; D472-R490 IonicContact OD1-NH2 3.72Å; D472-R490 PolarHBondContact OD1-NH2 3.36Å; D472-R490 IonicContact OD2-CZ 2.72Å; D472-R490 IonicContact OD2-NH1 3.94Å; D472-R490 PolarHBondContact OD2-NH1 3.09Å; D472-R490 IonicContact OD2-NH2 3.29Å
473V83.2Confident85.7Confident23 Ų2357.5 Ų57.514%0.13930%0.3CS..  trans-142.4152.8172.8-69.70000109L471 F476 L483 I486 V487L471-V473 HydrophobicContact CB-CG1 4.18Å; L471-V473 HydrophobicContact CB-CG2 4.03Å; L471-V473 PolarHBondContact O-N 3.21Å; V473-F476 HydrophobicContact CG2-CE1 4.36Å; V473-L483 HydrophobicContact CG2-CD1 4.38Å; V473-I486 HydrophobicContact CB-CG2 3.98Å; V473-I486 HydrophobicContact CG1-CG2 3.95Å; V473-V487 HydrophobicContact CG1-CG2 4.07Å
474P82.9Confident85.8Confident51 Ų5152.9 Ų52.933%0.33128%0.28SS..  trans-58.7144174.5-20.633.4000111F476P474-F476 WeakPolarHBondContact O-CD1 3.47Å; P474-F476 PolarHBondContact O-N 3.11Å
475V83.9Confident85.9Confident121 Ų12149.2 Ų49.273%0.73326%0.256SS*.  trans-63.6124.2179.6-176.20000110.3
476F89.4Confident86.2Confident8 Ų848.8 Ų48.84%0.03525%0.254CS..  trans-137.7152176.673-86.1000112.2Y465 R468 V473 P474 D482 L483 I486 V523Y465-F476 HydrophobicContact CD1-CE1 4.33Å; Y465-F476 HydrophobicContact CD1-CE2 4.19Å; Y465-F476 AromaticContact CD1-CZ 3.59Å; Y465-F476 HydrophobicContact CD1-CZ 3.59Å; Y465-F476 HydrophobicContact CE1-CE1 4.49Å; Y465-F476 HydrophobicContact CE1-CZ 4.13Å; Y465-F476 HydrophobicContact CG-CZ 4.45Å; R468-F476 PolarHBondContact NE-O 3.46Å; R468-F476 VanDerWaalsContact NE-O 3.13Å; R468-F476 PolarHBondContact NH1-O 3.39Å; R468-F476 PolarHBondContact NH2-O 3.43Å; V473-F476 HydrophobicContact CG2-CE1 4.36Å; P474-F476 WeakPolarHBondContact O-CD1 3.47Å; P474-F476 PolarHBondContact O-N 3.11Å; F476-D482 HydrophobicContact CD2-CB 3.81Å; F476-D482 HydrophobicContact CE2-CB 3.45Å; F476-D482 VanDerWaalsContact CE2-CB 3.45Å; F476-D482 HydrophobicContact CZ-CB 4.16Å; F476-L483 HydrophobicContact CE1-CD1 3.91Å; F476-L483 HydrophobicContact CZ-CB 4.11Å; F476-L483 HydrophobicContact CZ-CD1 3.91Å; F476-I486 HydrophobicContact CB-CD1 4.24Å; F476-I486 HydrophobicContact CD1-CD1 3.46Å; F476-I486 VanDerWaalsContact CD1-CD1 3.46Å; F476-I486 HydrophobicContact CD2-CD1 4.29Å; F476-I486 HydrophobicContact CE1-CD1 3.8Å; F476-I486 HydrophobicContact CG-CD1 3.74Å; F476-I486 HydrophobicContact CZ-CD1 4.35Å; F476-V523 HydrophobicContact CB-CB 4.35Å; F476-V523 HydrophobicContact CB-CG2 4.14Å
477T90.1Very high86.7Confident108 Ų10839 Ų3966%0.66322%0.218SC*.  trans-100.7117.9162.523.40000108.2S521T477-S521 VanDerWaalsContact O-CB 3.27Å; T477-S521 WeakPolarHBondContact O-CB 3.5Å
478G93.5Very high88Confident20 Ų2032.5 Ų32.521%0.20619%0.187CC..  trans-179.6-157.4-176.100000114Y465Y465-G478 PolarHBondContact N-O 3.14Å
479T95.8Very high89.4Confident5 Ų528 Ų283%0.03117%0.171CC..BIsolated β-bridgetrans-106.1-177.2-171.767.30000112.1L461 N462 K463 Y465 A481 D482 L483L461-T479 WeakPolarHBondContact O-CB 3.43Å; N462-T479 WeakPolarHBondContact O-CG2 3.37Å; K463-T479 WeakPolarHBondContact O-CA 3.48Å; Y465-T479 WeakPolarHBondContact CB-O 3.39Å; T479-A481 VanDerWaalsContact C-N 3.27Å; T479-A481 VanDerWaalsContact OG1-CB 3.31Å; T479-A481 WeakPolarHBondContact OG1-CB 3.32Å; T479-A481 PolarHBondContact OG1-N 2.87Å; T479-D482 PolarHBondContact N-OD2 2.92Å; T479-D482 WeakPolarHBondContact O-CB 3.42Å; T479-D482 PolarHBondContact O-N 3.05Å; T479-D482 PolarHBondContact OG1-N 3.36Å; T479-D482 PolarHBondContact OG1-OD2 3.29Å; T479-L483 PolarHBondContact O-N 2.96Å
480H96.3Very high91Very high8 Ų826.2 Ų26.24%0.03715%0.153CC..Hα-helixtrans-73.7-22.1169.8-63.766.8000111.8L418 L421 L461 K463 P464 Y465 D482 L483 L484L418-H480 HydrophobicContact CD2-CB 4.05Å; L421-H480 HydrophobicContact CD2-CB 3.99Å; L461-H480 CarbonylContact O-C 3.48Å; L461-H480 WeakPolarHBondContact O-CA 3.46Å; L461-H480 WeakPolarHBondContact O-CB 3.21Å; L461-H480 PolarHBondContact O-N 3.44Å; K463-H480 PolarHBondContact O-N 2.81Å; K463-H480 VanDerWaalsContact O-N 3.15Å; K463-H480 PolarHBondContact O-ND1 3.2Å; P464-H480 PolarHBondContact O-CE1 3.46Å; Y465-H480 AromaticContact CD2-CD2 3.92Å; Y465-H480 AromaticContact CD2-NE2 3.73Å; H480-D482 VanDerWaalsContact C-N 3.34Å; H480-L483 PolarHBondContact O-N 3.05Å; H480-L484 PolarHBondContact O-N 2.98Å; H480-L484 VanDerWaalsContact O-N 3.11Å
481A97.6Very high92.4Very high1 Ų123.6 Ų23.61%0.00814%0.139CC..Hα-helixtrans-61.4-42.9169.100000111.7L461 T479 L483 L484 I485 L517 L520L461-A481 HydrophobicContact CB-CB 4.09Å; L461-A481 HydrophobicContact CD1-CB 4.41Å; L461-A481 HydrophobicContact CG-CB 4.49Å; L461-A481 PolarHBondContact O-N 3.26Å; T479-A481 VanDerWaalsContact C-N 3.27Å; T479-A481 VanDerWaalsContact OG1-CB 3.31Å; T479-A481 WeakPolarHBondContact OG1-CB 3.32Å; T479-A481 PolarHBondContact OG1-N 2.87Å; A481-L483 VanDerWaalsContact C-N 3.32Å; A481-L483 PolarHBondContact O-N 3.24Å; A481-L484 PolarHBondContact O-N 3.32Å; A481-I485 WeakPolarHBondContact O-CD1 3.45Å; A481-I485 VanDerWaalsContact O-CG1 3.31Å; A481-I485 WeakPolarHBondContact O-CG1 3.44Å; A481-I485 PolarHBondContact O-N 3Å; A481-L517 HydrophobicContact CB-CD1 4.22Å; A481-L517 HydrophobicContact CB-CD2 3.6Å; A481-L517 HydrophobicContact CB-CG 4.38Å; A481-L520 HydrophobicContact CB-CD2 4.17Å
482D97.1Very high93.3Very high0 Ų023.8 Ų23.80%014%0.14CC..Hα-helixtrans-60.2-42.4176.2-67.7-86.9000111.8F476 T479 H480 I485 I486 S521 S524F476-D482 HydrophobicContact CD2-CB 3.81Å; F476-D482 HydrophobicContact CE2-CB 3.45Å; F476-D482 VanDerWaalsContact CE2-CB 3.45Å; F476-D482 HydrophobicContact CZ-CB 4.16Å; T479-D482 PolarHBondContact N-OD2 2.92Å; T479-D482 WeakPolarHBondContact O-CB 3.42Å; T479-D482 PolarHBondContact O-N 3.05Å; T479-D482 PolarHBondContact OG1-N 3.36Å; T479-D482 PolarHBondContact OG1-OD2 3.29Å; H480-D482 VanDerWaalsContact C-N 3.34Å; D482-I485 PolarHBondContact O-N 3.31Å; D482-I486 WeakPolarHBondContact O-CB 3.49Å; D482-I486 WeakPolarHBondContact O-CD1 3.23Å; D482-I486 WeakPolarHBondContact O-CG1 3.48Å; D482-I486 PolarHBondContact O-N 2.86Å; D482-S521 WeakPolarHBondContact OD1-CB 3.45Å; D482-S521 PolarHBondContact OD1-N 2.94Å; D482-S521 PolarHBondContact OD1-OG 3.08Å; D482-S524 WeakPolarHBondContact CA-OG 3.49Å; D482-S524 VanDerWaalsContact CB-OG 3.31Å; D482-S524 WeakPolarHBondContact CB-OG 3.42Å; D482-S524 WeakPolarHBondContact OD1-CB 3.47Å; D482-S524 PolarHBondContact OD1-OG 3.48Å
483L96Very high94Very high0 Ų022.1 Ų22.10%013%0.133CC..Hα-helixtrans-60.9-47176.5-165.469.5000111.6V422 L425 Y465 L471 V473 F476 T479 H480 A481 I485 I486 V487V422-L483 HydrophobicContact CG1-CD2 4.47Å; V422-L483 HydrophobicContact CG2-CD2 4.3Å; L425-L483 HydrophobicContact CD1-CB 4.26Å; L425-L483 HydrophobicContact CD1-CD2 3.9Å; L425-L483 HydrophobicContact CD1-CG 3.94Å; Y465-L483 HydrophobicContact CD1-CD1 4.31Å; Y465-L483 HydrophobicContact CD2-CD2 4.16Å; Y465-L483 HydrophobicContact CE1-CD1 3.74Å; Y465-L483 HydrophobicContact CE1-CD2 4.14Å; Y465-L483 HydrophobicContact CE1-CG 4.46Å; Y465-L483 HydrophobicContact CE2-CD2 3.63Å; L471-L483 HydrophobicContact CD2-CD1 4.18Å; L471-L483 HydrophobicContact CD2-CD2 4.4Å; L471-L483 HydrophobicContact CD2-CG 4.5Å; V473-L483 HydrophobicContact CG2-CD1 4.38Å; F476-L483 HydrophobicContact CE1-CD1 3.91Å; F476-L483 HydrophobicContact CZ-CB 4.11Å; F476-L483 HydrophobicContact CZ-CD1 3.91Å; T479-L483 PolarHBondContact O-N 2.96Å; H480-L483 PolarHBondContact O-N 3.05Å; A481-L483 VanDerWaalsContact C-N 3.32Å; A481-L483 PolarHBondContact O-N 3.24Å; L483-I485 PolarHBondContact O-N 3.49Å; L483-I486 PolarHBondContact O-N 3.43Å; L483-V487 WeakPolarHBondContact O-CB 3.35Å; L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 3.4Å
484L97.7Very high94.4Very high2 Ų224.1 Ų24.11%0.0115%0.148CC..Hα-helixtrans-58.8-45.2175.9173.962.4000111.7L425 L448 L461 H480 A481 S488 I509 V513L425-L484 HydrophobicContact CD1-CB 4.21Å; L425-L484 HydrophobicContact CD2-CD1 3.88Å; L448-L484 HydrophobicContact CD1-CD1 4.12Å; L461-L484 HydrophobicContact CD1-CD2 3.62Å; H480-L484 PolarHBondContact O-N 2.98Å; H480-L484 VanDerWaalsContact O-N 3.11Å; A481-L484 PolarHBondContact O-N 3.32Å; L484-S488 VanDerWaalsContact O-CB 3.23Å; L484-S488 WeakPolarHBondContact O-CB 3.4Å; L484-S488 PolarHBondContact O-N 3.18Å; L484-S488 PolarHBondContact O-OG 3.49Å; L484-I509 HydrophobicContact CD1-CG2 4.09Å; L484-I509 HydrophobicContact CD2-CG2 3.95Å; L484-I509 HydrophobicContact CG-CG2 4.47Å; L484-V513 HydrophobicContact CD2-CG2 4.36Å
485I98.1Very high94.7Very high4 Ų422.9 Ų22.92%0.02114%0.144CC..Hα-helixtrans-65.3-43.1178.8-71.4157.8000111.4A481 D482 L483 H489 L517 L520 K527 I528A481-I485 WeakPolarHBondContact O-CD1 3.45Å; A481-I485 VanDerWaalsContact O-CG1 3.31Å; A481-I485 WeakPolarHBondContact O-CG1 3.44Å; A481-I485 PolarHBondContact O-N 3Å; D482-I485 PolarHBondContact O-N 3.31Å; L483-I485 PolarHBondContact O-N 3.49Å; I485-H489 WeakPolarHBondContact O-CB 3.29Å; I485-H489 PolarHBondContact O-N 3.48Å; I485-L517 HydrophobicContact CD1-CD1 4.04Å; I485-L520 HydrophobicContact CD1-CD1 4.17Å; I485-L520 HydrophobicContact CD1-CD2 3.46Å; I485-L520 VanDerWaalsContact CD1-CD2 3.46Å; I485-L520 HydrophobicContact CD1-CG 4.49Å; I485-K527 HydrophobicContact CG2-CB 4.39Å; I485-I528 HydrophobicContact CD1-CD1 3.9Å; I485-I528 HydrophobicContact CG1-CD1 4.19Å; I485-I528 HydrophobicContact CG2-CD1 4.05Å; I485-I528 HydrophobicContact CG2-CG1 3.61Å
486I96.5Very high95Very high0 Ų018 Ų180%011%0.114CC..Hα-helixtrans-69-40.7-177.9-71.7166.4000111.4V473 F476 D482 L483 R490 V523V473-I486 HydrophobicContact CB-CG2 3.98Å; V473-I486 HydrophobicContact CG1-CG2 3.95Å; F476-I486 HydrophobicContact CB-CD1 4.24Å; F476-I486 HydrophobicContact CD1-CD1 3.46Å; F476-I486 VanDerWaalsContact CD1-CD1 3.46Å; F476-I486 HydrophobicContact CD2-CD1 4.29Å; F476-I486 HydrophobicContact CE1-CD1 3.8Å; F476-I486 HydrophobicContact CG-CD1 3.74Å; F476-I486 HydrophobicContact CZ-CD1 4.35Å; D482-I486 WeakPolarHBondContact O-CB 3.49Å; D482-I486 WeakPolarHBondContact O-CD1 3.23Å; D482-I486 WeakPolarHBondContact O-CG1 3.48Å; D482-I486 PolarHBondContact O-N 2.86Å; L483-I486 PolarHBondContact O-N 3.43Å; I486-R490 PolarHBondContact O-N 2.78Å; I486-V523 HydrophobicContact CD1-CG1 3.9Å; I486-V523 HydrophobicContact CG1-CG1 4.3Å
487V96.7Very high94.9Very high0 Ų023 Ų230%014%0.14CC..Hα-helixtrans-70.4-43.4175.7171.90000111.1L425 L428 N429 L471 V473 L483 H489 R490 L491L425-V487 HydrophobicContact CB-CG1 4.5Å; L425-V487 HydrophobicContact CB-CG2 4.32Å; L425-V487 HydrophobicContact CD2-CB 4.1Å; L425-V487 HydrophobicContact CD2-CG1 3.97Å; L428-V487 HydrophobicContact CB-CG1 4.26Å; N429-V487 HydrophobicContact CB-CG1 4.05Å; N429-V487 HydrophobicContact CB-CG2 4.12Å; L471-V487 HydrophobicContact CD2-CG2 4.3Å; V473-V487 HydrophobicContact CG1-CG2 4.07Å; L483-V487 WeakPolarHBondContact O-CB 3.35Å; L483-V487 WeakPolarHBondContact O-CG2 3.45Å; L483-V487 PolarHBondContact O-N 3.4Å; V487-H489 VanDerWaalsContact C-N 3.33Å; V487-H489 PolarHBondContact O-N 3.49Å; V487-R490 PolarHBondContact O-N 3.22Å; V487-R490 VanDerWaalsContact O-N 3.16Å; V487-L491 HydrophobicContact CG1-CD1 4.25Å; V487-L491 HydrophobicContact CG1-CG 4.5Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 2.93Å
488S97.8Very high94.7Very high1 Ų122.3 Ų22.31%0.00713%0.126CC..Hα-helixtrans-59.8-40.5173.9-66.90000112.5L484 L491 I492L484-S488 VanDerWaalsContact O-CB 3.23Å; L484-S488 WeakPolarHBondContact O-CB 3.4Å; L484-S488 PolarHBondContact O-N 3.18Å; L484-S488 PolarHBondContact O-OG 3.49Å; S488-L491 PolarHBondContact O-N 3.45Å; S488-I492 WeakPolarHBondContact O-CD1 3.27Å; S488-I492 VanDerWaalsContact O-CG1 3.28Å; S488-I492 WeakPolarHBondContact O-CG1 3.23Å; S488-I492 PolarHBondContact O-N 2.92Å; S488-I492 VanDerWaalsContact O-N 3.1Å
489H97.6Very high94.6Very high12 Ų1221.5 Ų21.56%0.05612%0.116CC..Hα-helixtrans-60.6-47.1172.8172.4-84.2000111.6I485 V487 L491 I492 T493 K527 H530I485-H489 WeakPolarHBondContact O-CB 3.29Å; I485-H489 PolarHBondContact O-N 3.48Å; V487-H489 VanDerWaalsContact C-N 3.33Å; V487-H489 PolarHBondContact O-N 3.49Å; H489-L491 PolarHBondContact O-N 2.89Å; H489-I492 PolarHBondContact O-N 2.95Å; H489-I492 VanDerWaalsContact O-N 3.17Å; H489-T493 PolarHBondContact CE1-OG1 3.45Å; H489-T493 PolarHBondContact ND1-OG1 2.95Å; H489-T493 WeakPolarHBondContact NE2-CG2 3.12Å; H489-T493 PolarHBondContact O-N 3.35Å; H489-T493 PolarHBondContact O-OG1 3.07Å; H489-T493 VanDerWaalsContact O-OG1 3.06Å; H489-K527 HydrophobicContact CB-CB 4.19Å; H489-K527 HydrophobicContact CB-CD 3.87Å; H489-K527 PolarHBondContact CD2-O 3.01Å; H489-K527 WeakPolarHBondContact ND1-CD 3.39Å; H489-H530 AromaticContact NE2-CE1 3.97Å; H489-H530 AromaticContact NE2-CG 3.77Å; H489-H530 AromaticContact NE2-ND1 3.41Å; H489-H530 PolarHBondContact NE2-ND1 2.79Å
490R95.3Very high94.3Very high38 Ų3825.6 Ų25.614%0.14314%0.138CC..Hα-helixtrans-61.5-40.3177.7-82.5177.4158.6-123.26.5113.2N429 R432 D472 I486 V487 I492 S494 G495N429-R490 VanDerWaalsContact OD1-CD 3.32Å; N429-R490 WeakPolarHBondContact OD1-CD 3.28Å; R432-R490 VanDerWaalsContact CZ-NH1 3.27Å; D472-R490 PolarHBondContact O-NH1 3.09Å; D472-R490 PolarHBondContact O-NH2 3.3Å; D472-R490 IonicContact OD1-CZ 2.67Å; D472-R490 IonicContact OD1-NH1 3.81Å; D472-R490 PolarHBondContact OD1-NH1 3.12Å; D472-R490 VanDerWaalsContact OD1-NH1 3.11Å; D472-R490 IonicContact OD1-NH2 3.72Å; D472-R490 PolarHBondContact OD1-NH2 3.36Å; D472-R490 IonicContact OD2-CZ 2.72Å; D472-R490 IonicContact OD2-NH1 3.94Å; D472-R490 PolarHBondContact OD2-NH1 3.09Å; D472-R490 IonicContact OD2-NH2 3.29Å; I486-R490 PolarHBondContact O-N 2.78Å; V487-R490 PolarHBondContact O-N 3.22Å; V487-R490 VanDerWaalsContact O-N 3.16Å; R490-I492 VanDerWaalsContact C-N 3.32Å; R490-S494 CarbonylContact O-C 3.54Å; R490-S494 WeakPolarHBondContact O-CA 3.44Å; R490-S494 WeakPolarHBondContact O-CB 3.38Å; R490-S494 PolarHBondContact O-N 2.85Å; R490-G495 PolarHBondContact O-N 2.99Å
491L96.2Very high93.9Very high3 Ų329.2 Ų29.22%0.01616%0.162CC..Hα-helixtrans-60.8-42.4174.1-70.6168000111.4L428 R432 I441 V487 S488 H489 G495 L499 L506L428-L491 HydrophobicContact CB-CD1 4.29Å; L428-L491 HydrophobicContact CD1-CD1 4.3Å; R432-L491 HydrophobicContact CB-CD2 3.8Å; I441-L491 HydrophobicContact CG2-CD2 4.3Å; V487-L491 HydrophobicContact CG1-CD1 4.25Å; V487-L491 HydrophobicContact CG1-CG 4.5Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 2.93Å; S488-L491 PolarHBondContact O-N 3.45Å; H489-L491 PolarHBondContact O-N 2.89Å; L491-G495 PolarHBondContact O-N 2.88Å; L491-L499 HydrophobicContact CD2-CD1 4.03Å; L491-L506 HydrophobicContact CB-CD1 3.8Å; L491-L506 HydrophobicContact CD1-CD1 4.05Å; L491-L506 HydrophobicContact CD1-CD2 3.87Å
492I96.2Very high93.6Very high15 Ų1529.2 Ų29.28%0.07716%0.162CC..Hα-helixtrans-74.3-41.2-178.3-67.7166.7000112.8S488 H489 R490 F503 L506 L507 L531 F535S488-I492 WeakPolarHBondContact O-CD1 3.27Å; S488-I492 VanDerWaalsContact O-CG1 3.28Å; S488-I492 WeakPolarHBondContact O-CG1 3.23Å; S488-I492 PolarHBondContact O-N 2.92Å; S488-I492 VanDerWaalsContact O-N 3.1Å; H489-I492 PolarHBondContact O-N 2.95Å; H489-I492 VanDerWaalsContact O-N 3.17Å; R490-I492 VanDerWaalsContact C-N 3.32Å; I492-F503 HydrophobicContact CB-CD1 4.41Å; I492-F503 HydrophobicContact CB-CE1 4.26Å; I492-F503 HydrophobicContact CG1-CD1 3.84Å; I492-F503 HydrophobicContact CG1-CE1 4.15Å; I492-F503 HydrophobicContact CG1-CG 4.29Å; I492-F503 HydrophobicContact CG2-CD1 4.44Å; I492-F503 HydrophobicContact CG2-CD2 4.36Å; I492-F503 HydrophobicContact CG2-CE1 4.31Å; I492-F503 HydrophobicContact CG2-CE2 4.22Å; I492-F503 HydrophobicContact CG2-CG 4.47Å; I492-F503 HydrophobicContact CG2-CZ 4.19Å; I492-F503 WeakPolarHBondContact O-CZ 3.33Å; I492-L506 HydrophobicContact CD1-CB 4.11Å; I492-L506 HydrophobicContact CD1-CD1 4.28Å; I492-L506 HydrophobicContact CG1-CD1 3.83Å; I492-L507 HydrophobicContact CD1-CD2 4.13Å; I492-L507 HydrophobicContact CD1-CG 4.4Å; I492-L531 HydrophobicContact CB-CD2 4.16Å; I492-L531 HydrophobicContact CD1-CD1 3.93Å; I492-L531 HydrophobicContact CD1-CD2 4.47Å; I492-L531 HydrophobicContact CG2-CD2 3.73Å; I492-F535 HydrophobicContact CG2-CE1 4.4Å; I492-F535 HydrophobicContact CG2-CE2 4.05Å; I492-F535 HydrophobicContact CG2-CZ 3.47Å; I492-F535 VanDerWaalsContact CG2-CZ 3.47Å
493T95.3Very high93.5Very high44 Ų4430.3 Ų30.327%0.2717%0.167SC..Hα-helixtrans-104.5-4.9-171.167.90000115H489 L531H489-T493 PolarHBondContact CE1-OG1 3.45Å; H489-T493 PolarHBondContact ND1-OG1 2.95Å; H489-T493 WeakPolarHBondContact NE2-CG2 3.12Å; H489-T493 PolarHBondContact O-N 3.35Å; H489-T493 PolarHBondContact O-OG1 3.07Å; H489-T493 VanDerWaalsContact O-OG1 3.06Å; T493-L531 HydrophobicContact CG2-CD2 3.65Å
494S92Very high93.3Very high65 Ų6532.5 Ų32.546%0.45518%0.179SC..Hα-helixtrans-144.12.3-176.6-51.90000113.8N433 R490N433-S494 PolarHBondContact OD1-O 3.25Å; N433-S494 VanDerWaalsContact OD1-O 3.11Å; R490-S494 CarbonylContact O-C 3.54Å; R490-S494 WeakPolarHBondContact O-CA 3.44Å; R490-S494 WeakPolarHBondContact O-CB 3.38Å; R490-S494 PolarHBondContact O-N 2.85Å
495G89Confident93.2Very high25 Ų2532.6 Ų32.626%0.25818%0.18SC..SBendtrans-85.1169.2171.400000113R432 R490 L491R432-G495 VanDerWaalsContact O-CA 3.3Å; R432-G495 WeakPolarHBondContact O-CA 3.45Å; R490-G495 PolarHBondContact O-N 2.99Å; L491-G495 PolarHBondContact O-N 2.88Å
496H89.9Confident93.1Very high20 Ų2032.6 Ų32.69%0.09318%0.18CC..  trans-72154.4179.960.767.9000113R432 Q435 R498 L499R432-H496 PolarHBondContact O-CD2 3.43Å; R432-H496 PolarHBondContact O-N 3.04Å; Q435-H496 HydrophobicContact CG-CB 4.09Å; H496-R498 PolarHBondContact ND1-N 2.86Å; H496-R498 PolarHBondContact O-N 3.19Å; H496-L499 WeakPolarHBondContact CE1-CD2 3.48Å; H496-L499 WeakPolarHBondContact O-CB 3.44Å; H496-L499 WeakPolarHBondContact O-CG 3.48Å; H496-L499 PolarHBondContact O-N 3.04Å
497N87.8Confident93.2Very high112 Ų11232.7 Ų32.760%0.59918%0.18SC*.G310 helixtrans-52.1-32.9-176.765.5-18.6000115.2L499 N500N497-L499 PolarHBondContact O-N 2.81Å; N497-L499 VanDerWaalsContact O-N 3.07Å; N497-N500 WeakPolarHBondContact O-CB 3.15Å; N497-N500 PolarHBondContact O-N 3.31Å; N497-N500 VanDerWaalsContact O-N 3.08Å; N497-N500 PolarHBondContact O-OD1 3.44Å
498R86.8Confident93.2Very high94 Ų9432.8 Ų32.836%0.35518%0.181SC..G310 helixtrans-64.1-6.8174.9-55.2178.568.9-174.93.6114.1Q435 I438 H496 P501Q435-R498 VanDerWaalsContact OE1-CD 3.22Å; I438-R498 HydrophobicContact CD1-CB 3.46Å; I438-R498 VanDerWaalsContact CD1-CB 3.46Å; I438-R498 HydrophobicContact CD1-CG 4.45Å; H496-R498 PolarHBondContact ND1-N 2.86Å; H496-R498 PolarHBondContact O-N 3.19Å; R498-P501 WeakPolarHBondContact O-CD 3.49Å
499L90.2Very high93.2Very high2 Ų232.7 Ų32.71%0.0118%0.18CC..G310 helixtrans-84.8-9.8171.8-58.7-168.3000114I438 I441 L491 H496 N497 P501 L502 F503I438-L499 HydrophobicContact CG1-CD2 4.23Å; I441-L499 HydrophobicContact CB-CD2 4.39Å; I441-L499 HydrophobicContact CD1-CD1 4.2Å; I441-L499 HydrophobicContact CD1-CD2 3.88Å; I441-L499 HydrophobicContact CG2-CD2 3.89Å; L491-L499 HydrophobicContact CD2-CD1 4.03Å; H496-L499 WeakPolarHBondContact CE1-CD2 3.48Å; H496-L499 WeakPolarHBondContact O-CB 3.44Å; H496-L499 WeakPolarHBondContact O-CG 3.48Å; H496-L499 PolarHBondContact O-N 3.04Å; N497-L499 PolarHBondContact O-N 2.81Å; N497-L499 VanDerWaalsContact O-N 3.07Å; L499-P501 VanDerWaalsContact C-N 3.3Å; L499-L502 HydrophobicContact CD2-CD1 4.41Å; L499-L502 WeakPolarHBondContact O-CB 3.48Å; L499-L502 PolarHBondContact O-N 3.04Å; L499-F503 HydrophobicContact CB-CE1 4.36Å; L499-F503 WeakPolarHBondContact O-CD1 3.28Å
500N89.8Confident93.3Very high91 Ų9132.2 Ų32.249%0.48718%0.178SC..G310 helixtrans-50.4-39.8179.9-67.31.9000114N497 L502 F503N497-N500 WeakPolarHBondContact O-CB 3.15Å; N497-N500 PolarHBondContact O-N 3.31Å; N497-N500 VanDerWaalsContact O-N 3.08Å; N497-N500 PolarHBondContact O-OD1 3.44Å; N500-L502 PolarHBondContact O-N 3.09Å; N500-F503 HydrophobicContact CB-CE2 4.39Å; N500-F503 HydrophobicContact CB-CZ 4.45Å; N500-F503 WeakPolarHBondContact O-CB 3.4Å; N500-F503 WeakPolarHBondContact O-CG 3.37Å; N500-F503 PolarHBondContact O-N 3.36Å; N500-F503 VanDerWaalsContact O-N 3.14Å; N500-F503 WeakPolarHBondContact OD1-CZ 3.43Å
501P87.9Confident93.4Very high84 Ų8430.5 Ų30.555%0.54517%0.172SC..G310 helixtrans-62.3-22.4176.2-23.835.9000114.8R498 L499R498-P501 WeakPolarHBondContact O-CD 3.49Å; L499-P501 VanDerWaalsContact C-N 3.3Å
502L91.8Very high93.5Very high2 Ų230.4 Ų30.41%0.0117%0.171CC..G310 helixtrans-84.2-5.8177.8-70178.9000113.6I441 H442 V445 F446 L499 N500 D504 C505 L506I441-L502 HydrophobicContact CG2-CD1 3.73Å; H442-L502 VanDerWaalsContact CD2-CD2 3.46Å; H442-L502 WeakPolarHBondContact CD2-CD2 3.42Å; V445-L502 HydrophobicContact CB-CD1 4.47Å; V445-L502 HydrophobicContact CB-CD2 4.36Å; V445-L502 HydrophobicContact CG1-CD2 4.01Å; V445-L502 HydrophobicContact CG2-CD1 4.28Å; F446-L502 HydrophobicContact CE1-CD2 4.05Å; L499-L502 HydrophobicContact CD2-CD1 4.41Å; L499-L502 WeakPolarHBondContact O-CB 3.48Å; L499-L502 PolarHBondContact O-N 3.04Å; N500-L502 PolarHBondContact O-N 3.09Å; L502-D504 PolarHBondContact O-N 3.31Å; L502-C505 HydrophobicContact CD2-CB 4.28Å; L502-C505 WeakPolarHBondContact O-CB 3.41Å; L502-C505 PolarHBondContact O-N 3.29Å; L502-C505 VanDerWaalsContact O-N 3.09Å; L502-L506 WeakPolarHBondContact O-CG 2.93Å; L502-L506 PolarHBondContact O-N 3.5Å
503F94.9Very high93.6Very high23 Ų2329.8 Ų29.810%0.10117%0.168CC..Hα-helixtrans-63.6-42.5-177-67.92.3000111.8I492 L499 N500 C505 L506 L507 F535 L550I492-F503 HydrophobicContact CB-CD1 4.41Å; I492-F503 HydrophobicContact CB-CE1 4.26Å; I492-F503 HydrophobicContact CG1-CD1 3.84Å; I492-F503 HydrophobicContact CG1-CE1 4.15Å; I492-F503 HydrophobicContact CG1-CG 4.29Å; I492-F503 HydrophobicContact CG2-CD1 4.44Å; I492-F503 HydrophobicContact CG2-CD2 4.36Å; I492-F503 HydrophobicContact CG2-CE1 4.31Å; I492-F503 HydrophobicContact CG2-CE2 4.22Å; I492-F503 HydrophobicContact CG2-CG 4.47Å; I492-F503 HydrophobicContact CG2-CZ 4.19Å; I492-F503 WeakPolarHBondContact O-CZ 3.33Å; L499-F503 HydrophobicContact CB-CE1 4.36Å; L499-F503 WeakPolarHBondContact O-CD1 3.28Å; N500-F503 HydrophobicContact CB-CE2 4.39Å; N500-F503 HydrophobicContact CB-CZ 4.45Å; N500-F503 WeakPolarHBondContact O-CB 3.4Å; N500-F503 WeakPolarHBondContact O-CG 3.37Å; N500-F503 PolarHBondContact O-N 3.36Å; N500-F503 VanDerWaalsContact O-N 3.14Å; N500-F503 WeakPolarHBondContact OD1-CZ 3.43Å; F503-C505 VanDerWaalsContact C-N 3.28Å; F503-C505 PolarHBondContact O-N 3.11Å; F503-L506 PolarHBondContact O-N 2.77Å; F503-L507 WeakPolarHBondContact O-CB 2.39Å; F503-L507 WeakPolarHBondContact O-CG 3.1Å; F503-L507 PolarHBondContact O-N 3.41Å; F503-F535 HydrophobicContact CD2-CE1 4.29Å; F503-F535 AromaticContact CD2-CZ 3.82Å; F503-F535 HydrophobicContact CD2-CZ 3.82Å; F503-F535 HydrophobicContact CE2-CE1 4.45Å; F503-F535 HydrophobicContact CE2-CZ 4.23Å; F503-L550 HydrophobicContact CB-CD2 3.81Å
504D92.3Very high93.7Very high46 Ų4627.7 Ų27.725%0.24616%0.155CC..Hα-helixtrans-60.4-38.4172.9-77.8-43000111.7L502 T508 L550 L721L502-D504 PolarHBondContact O-N 3.31Å; D504-T508 WeakPolarHBondContact O-CB 3.22Å; D504-T508 PolarHBondContact O-N 3.12Å; D504-T508 PolarHBondContact O-OG1 3.26Å; D504-L550 HydrophobicContact CB-CD2 4.49Å; D504-L550 WeakPolarHBondContact OD1-CD2 3.43Å; D504-L721 HydrophobicContact CB-CB 4.41Å; D504-L721 HydrophobicContact CB-CD2 3.77Å; D504-L721 WeakPolarHBondContact O-CD2 3.35Å
505C94.5Very high94Very high4 Ų424.7 Ų24.73%0.02713%0.134CC..Hα-helixtrans-66.9-49.2179.1-56.80000111.2V445 L502 F503 T508 I509V445-C505 HydrophobicContact CG1-CB 3.71Å; L502-C505 HydrophobicContact CD2-CB 4.28Å; L502-C505 WeakPolarHBondContact O-CB 3.41Å; L502-C505 PolarHBondContact O-N 3.29Å; L502-C505 VanDerWaalsContact O-N 3.09Å; F503-C505 VanDerWaalsContact C-N 3.28Å; F503-C505 PolarHBondContact O-N 3.11Å; C505-T508 WeakPolarHBondContact O-CB 3.49Å; C505-T508 PolarHBondContact O-N 3.2Å; C505-I509 WeakPolarHBondContact O-CD1 3.32Å; C505-I509 WeakPolarHBondContact O-CG1 3.3Å; C505-I509 PolarHBondContact O-N 3.4Å
506L97.3Very high94.4Very high4 Ų424.9 Ų24.92%0.02113%0.127CC..Hα-helixtrans-62.8-43.8179.3-71.4170.5000111.9V445 L491 I492 L502 F503 I509 I510V445-L506 HydrophobicContact CG1-CD2 4.19Å; V445-L506 HydrophobicContact CG1-CG 4.41Å; V445-L506 HydrophobicContact CG2-CD2 3.73Å; V445-L506 HydrophobicContact CG2-CG 4.41Å; L491-L506 HydrophobicContact CB-CD1 3.8Å; L491-L506 HydrophobicContact CD1-CD1 4.05Å; L491-L506 HydrophobicContact CD1-CD2 3.87Å; I492-L506 HydrophobicContact CD1-CB 4.11Å; I492-L506 HydrophobicContact CD1-CD1 4.28Å; I492-L506 HydrophobicContact CG1-CD1 3.83Å; L502-L506 WeakPolarHBondContact O-CG 2.93Å; L502-L506 PolarHBondContact O-N 3.5Å; F503-L506 PolarHBondContact O-N 2.77Å; L506-I509 PolarHBondContact O-N 3.31Å; L506-I510 WeakPolarHBondContact O-CG1 3.5Å; L506-I510 PolarHBondContact O-N 3.14Å
507L97.6Very high94.8Very high1 Ų123.9 Ų23.91%0.00512%0.123CC..Hα-helixtrans-69-34.1175-68-173.7000112.3I492 F503 I510 A511 L531 F535 L550 L553 L554I492-L507 HydrophobicContact CD1-CD2 4.13Å; I492-L507 HydrophobicContact CD1-CG 4.4Å; F503-L507 WeakPolarHBondContact O-CB 2.39Å; F503-L507 WeakPolarHBondContact O-CG 3.1Å; F503-L507 PolarHBondContact O-N 3.41Å; L507-I510 HydrophobicContact CD2-CD1 4.49Å; L507-I510 PolarHBondContact O-N 3.09Å; L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 3.03Å; L507-L531 HydrophobicContact CD2-CD1 3.98Å; L507-F535 HydrophobicContact CD1-CD2 4.26Å; L507-F535 HydrophobicContact CD1-CE2 4.02Å; L507-L550 HydrophobicContact CD1-CB 3.72Å; L507-L550 HydrophobicContact CD1-CD2 3.68Å; L507-L550 HydrophobicContact CD1-CG 4.3Å; L507-L550 WeakPolarHBondContact CD1-O 3.22Å; L507-L553 HydrophobicContact CB-CB 3.96Å; L507-L553 HydrophobicContact CB-CD1 3.75Å; L507-L553 HydrophobicContact CB-CG 4.48Å; L507-L553 HydrophobicContact CD1-CB 4.46Å; L507-L554 HydrophobicContact CD1-CD1 4.15Å; L507-L554 HydrophobicContact CD1-CG 4.07Å; L507-L554 HydrophobicContact CD2-CD1 4.46Å; L507-L554 HydrophobicContact CD2-CD2 3.81Å; L507-L554 HydrophobicContact CD2-CG 4.03Å
508T97.3Very high95.2Very high2 Ų223.7 Ų23.71%0.01212%0.117CC..Hα-helixtrans-64.3-39.8173.4-71.40000112.2L449 D504 C505 I510 A511 N512 L721 R921L449-T508 HydrophobicContact CD1-CG2 3.63Å; D504-T508 WeakPolarHBondContact O-CB 3.22Å; D504-T508 PolarHBondContact O-N 3.12Å; D504-T508 PolarHBondContact O-OG1 3.26Å; C505-T508 WeakPolarHBondContact O-CB 3.49Å; C505-T508 PolarHBondContact O-N 3.2Å; T508-I510 PolarHBondContact O-N 3.45Å; T508-A511 PolarHBondContact O-N 3.31Å; T508-N512 WeakPolarHBondContact O-CB 3.3Å; T508-N512 VanDerWaalsContact O-CG 3.24Å; T508-N512 PolarHBondContact O-N 3.19Å; T508-L721 HydrophobicContact CG2-CD2 4.44Å; T508-L721 WeakPolarHBondContact OG1-CD2 3.3Å; T508-R921 HydrophobicContact CG2-CB 3.74Å; T508-R921 HydrophobicContact CG2-CG 4.32Å
509I98.2Very high95.6Very high0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-58.7-47.5173.3-73156.1000110.7V445 L448 L449 L484 C505 L506 N512 V513V445-I509 HydrophobicContact CG1-CD1 3.93Å; L448-I509 HydrophobicContact CB-CD1 3.72Å; L448-I509 HydrophobicContact CB-CG1 4.34Å; L448-I509 HydrophobicContact CB-CG2 4.49Å; L449-I509 HydrophobicContact CB-CD1 4.23Å; L449-I509 HydrophobicContact CB-CG1 4.11Å; L449-I509 HydrophobicContact CD1-CG1 4.31Å; L484-I509 HydrophobicContact CD1-CG2 4.09Å; L484-I509 HydrophobicContact CD2-CG2 3.95Å; L484-I509 HydrophobicContact CG-CG2 4.47Å; C505-I509 WeakPolarHBondContact O-CD1 3.32Å; C505-I509 WeakPolarHBondContact O-CG1 3.3Å; C505-I509 PolarHBondContact O-N 3.4Å; L506-I509 PolarHBondContact O-N 3.31Å; I509-N512 PolarHBondContact O-N 2.83Å; I509-V513 WeakPolarHBondContact O-CG2 3.45Å; I509-V513 PolarHBondContact O-N 3.35Å
510I98.5Very high95.9Very high2 Ų222.2 Ų22.21%0.0112%0.121CC..Hα-helixtrans-65.5-42.5178.2-58.9169.2000110.5L506 L507 T508 V513 S514 I528 V557L506-I510 WeakPolarHBondContact O-CG1 3.5Å; L506-I510 PolarHBondContact O-N 3.14Å; L507-I510 HydrophobicContact CD2-CD1 4.49Å; L507-I510 PolarHBondContact O-N 3.09Å; T508-I510 PolarHBondContact O-N 3.45Å; I510-V513 PolarHBondContact O-N 3.21Å; I510-S514 VanDerWaalsContact O-CB 3.24Å; I510-S514 WeakPolarHBondContact O-CB 3.45Å; I510-S514 PolarHBondContact O-N 3.46Å; I510-I528 HydrophobicContact CG2-CD1 4.5Å; I510-V557 HydrophobicContact CB-CG2 4.31Å; I510-V557 HydrophobicContact CG2-CG1 4.01Å; I510-V557 HydrophobicContact CG2-CG2 3.76Å
511A98.2Very high96.2Very high1 Ų118.3 Ų18.31%0.00810%0.101CC..Hα-helixtrans-59.4-48.2176.300000111.8L507 T508 V513 S514 P515 L553 V557L507-A511 WeakPolarHBondContact O-CB 3.4Å; L507-A511 PolarHBondContact O-N 3.03Å; T508-A511 PolarHBondContact O-N 3.31Å; A511-V513 VanDerWaalsContact C-N 3.35Å; A511-V513 PolarHBondContact O-N 2.17Å; A511-S514 PolarHBondContact O-N 2.99Å; A511-S514 PolarHBondContact O-OG 2.78Å; A511-P515 WeakPolarHBondContact O-CD 3.37Å; A511-L553 HydrophobicContact CB-CD2 4.1Å; A511-V557 HydrophobicContact CB-CG2 4.03Å
512N97.9Very high96.5Very high1 Ų116.2 Ų16.21%0.0058%0.084CC..Hα-helixtrans-58.2-41178.2-77.6-12.7000113.2S452 T508 I509 P515 I920 R921S452-N512 WeakPolarHBondContact O-CB 3.48Å; S452-N512 PolarHBondContact OG-ND2 2.85Å; T508-N512 WeakPolarHBondContact O-CB 3.3Å; T508-N512 VanDerWaalsContact O-CG 3.24Å; T508-N512 PolarHBondContact O-N 3.19Å; I509-N512 PolarHBondContact O-N 2.83Å; N512-P515 WeakPolarHBondContact O-CD 3.48Å; N512-I920 WeakPolarHBondContact O-CD1 3.44Å; N512-R921 PolarHBondContact ND2-O 3.18Å; N512-R921 WeakPolarHBondContact OD1-CB 3.36Å; N512-R921 PolarHBondContact OD1-N 2.94Å
513V98.3Very high96.6Very high2 Ų218.3 Ų18.31%0.01210%0.097CC..Hα-helixtrans-86-21179.6-55.60000114.2F457 L461 L484 I509 I510 A511 P515 Y516 L517F457-V513 HydrophobicContact CD1-CG1 3.83Å; F457-V513 HydrophobicContact CE1-CG1 4.03Å; L461-V513 HydrophobicContact CD1-CB 4.26Å; L461-V513 HydrophobicContact CD1-CG1 4.15Å; L461-V513 HydrophobicContact CD1-CG2 4.15Å; L484-V513 HydrophobicContact CD2-CG2 4.36Å; I509-V513 WeakPolarHBondContact O-CG2 3.45Å; I509-V513 PolarHBondContact O-N 3.35Å; I510-V513 PolarHBondContact O-N 3.21Å; A511-V513 VanDerWaalsContact C-N 3.35Å; A511-V513 PolarHBondContact O-N 2.17Å; V513-P515 WeakPolarHBondContact O-CD 3.27Å; V513-Y516 PolarHBondContact O-N 3.06Å; V513-L517 HydrophobicContact CB-CD2 4.11Å; V513-L517 HydrophobicContact CG2-CD1 4.1Å; V513-L517 HydrophobicContact CG2-CD2 3.91Å; V513-L517 HydrophobicContact CG2-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CG 3.42Å
514S98.3Very high96.7Very high0 Ų017.2 Ų17.20%09%0.092CC..G310 helixtrans-51-35-175.164.10000116.8I510 A511 Y516 L517 N560 I561I510-S514 VanDerWaalsContact O-CB 3.24Å; I510-S514 WeakPolarHBondContact O-CB 3.45Å; I510-S514 PolarHBondContact O-N 3.46Å; A511-S514 PolarHBondContact O-N 2.99Å; A511-S514 PolarHBondContact O-OG 2.78Å; S514-Y516 PolarHBondContact O-N 2.62Å; S514-Y516 VanDerWaalsContact O-N 3.08Å; S514-L517 PolarHBondContact O-N 3.1Å; S514-N560 VanDerWaalsContact OG-CB 3.27Å; S514-N560 WeakPolarHBondContact OG-CB 3.18Å; S514-N560 PolarHBondContact OG-ND2 3.45Å; S514-I561 VanDerWaalsContact O-CG1 3.27Å; S514-I561 WeakPolarHBondContact O-CG1 3.48Å
515P97.8Very high97Very high2 Ų215 Ų151%0.0138%0.08CC..G310 helixtrans-67.1-8.8176.7-14.528000114.3A511 N512 V513 N560 Y564 Q565 I918A511-P515 WeakPolarHBondContact O-CD 3.37Å; N512-P515 WeakPolarHBondContact O-CD 3.48Å; V513-P515 WeakPolarHBondContact O-CD 3.27Å; P515-N560 HydrophobicContact CB-CB 4.47Å; P515-N560 HydrophobicContact CG-CB 4.09Å; P515-Y564 HydrophobicContact CB-CD2 4Å; P515-Q565 WeakPolarHBondContact O-CG 3.49Å; P515-Q565 PolarHBondContact O-NE2 2.97Å; P515-I918 HydrophobicContact CB-CD1 3.73Å; P515-I918 HydrophobicContact CB-CG1 4.05Å; P515-I918 HydrophobicContact CB-CG2 4.27Å; P515-I918 HydrophobicContact CG-CD1 4.26Å; P515-I918 HydrophobicContact CG-CG1 4.16Å; P515-I918 HydrophobicContact CG-CG2 3.61Å
516Y97.6Very high97.1Very high29 Ų2917 Ų1711%0.1149%0.09CC..G310 helixtrans-117.1-5.1-173.8-46.2-57.8000113.4R455 V459 N462 V513 S514 I920R455-Y516 HydrophobicContact CB-CE1 4.32Å; R455-Y516 HydrophobicContact CB-CE2 4.19Å; R455-Y516 HydrophobicContact CG-CD1 4.19Å; R455-Y516 HydrophobicContact CG-CE1 3.67Å; R455-Y516 HydrophobicContact CG-CE2 4.29Å; V459-Y516 HydrophobicContact CG2-CD1 4.28Å; V459-Y516 HydrophobicContact CG2-CG 4.29Å; N462-Y516 PolarHBondContact ND2-O 3.22Å; N462-Y516 PolarHBondContact OD1-O 2.97Å; V513-Y516 PolarHBondContact O-N 3.06Å; S514-Y516 PolarHBondContact O-N 2.62Å; S514-Y516 VanDerWaalsContact O-N 3.08Å; Y516-I920 HydrophobicContact CE2-CD1 4.29Å
517L98.3Very high97.1Very high0 Ų019.2 Ų19.20%010%0.1CC..  trans-81.3123.1-174.7-55.8-171000111.8L461 A481 I485 V513 S514 L520 Q565 N569L461-L517 HydrophobicContact CB-CD2 4.43Å; L461-L517 HydrophobicContact CD1-CD2 4.42Å; A481-L517 HydrophobicContact CB-CD1 4.22Å; A481-L517 HydrophobicContact CB-CD2 3.6Å; A481-L517 HydrophobicContact CB-CG 4.38Å; I485-L517 HydrophobicContact CD1-CD1 4.04Å; V513-L517 HydrophobicContact CB-CD2 4.11Å; V513-L517 HydrophobicContact CG2-CD1 4.1Å; V513-L517 HydrophobicContact CG2-CD2 3.91Å; V513-L517 HydrophobicContact CG2-CG 4.25Å; V513-L517 WeakPolarHBondContact O-CG 3.42Å; S514-L517 PolarHBondContact O-N 3.1Å; L517-L520 HydrophobicContact CB-CD2 4.46Å; L517-L520 HydrophobicContact CB-CG 4.47Å; L517-L520 HydrophobicContact CD1-CD1 4.44Å; L517-L520 HydrophobicContact CD1-CD2 4.22Å; L517-Q565 WeakPolarHBondContact O-CB 3.4Å; L517-Q565 WeakPolarHBondContact O-CG 3.48Å; L517-N569 PolarHBondContact O-ND2 2.91Å
518K95.8Very high97.2Very high108 Ų10819.2 Ų19.247%0.4710%0.1SC..  trans-114.4152.5175.4-65.1-177.6172.6-1710109.8N462 L520 Q565N462-K518 PolarHBondContact OD1-N 2.99Å; N462-K518 PolarHBondContact OD1-O 3.45Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.23Å; K518-Q565 VanDerWaalsContact CG-OE1 3.25Å
519S94.8Very high97.2Very high64 Ų6419.1 Ų19.145%0.44810%0.1SC..SBendtrans55.838.8168.9530000114.8S521 G568 N569S519-S521 PolarHBondContact O-N 3.36Å; S519-G568 WeakPolarHBondContact CA-O 3.5Å; S519-G568 PolarHBondContact N-O 3.01Å; S519-N569 PolarHBondContact N-OD1 3.43Å
520L97.1Very high97.2Very high0 Ų021.4 Ų21.40%011%0.11CC..  trans-56.8135171.7-71.4-178000110.7A481 I485 L517 K518 I528 I561 N569 N571A481-L520 HydrophobicContact CB-CD2 4.17Å; I485-L520 HydrophobicContact CD1-CD1 4.17Å; I485-L520 HydrophobicContact CD1-CD2 3.46Å; I485-L520 VanDerWaalsContact CD1-CD2 3.46Å; I485-L520 HydrophobicContact CD1-CG 4.49Å; L517-L520 HydrophobicContact CB-CD2 4.46Å; L517-L520 HydrophobicContact CB-CG 4.47Å; L517-L520 HydrophobicContact CD1-CD1 4.44Å; L517-L520 HydrophobicContact CD1-CD2 4.22Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.23Å; L520-I528 HydrophobicContact CD1-CD1 4.4Å; L520-I561 HydrophobicContact CD1-CD1 3.87Å; L520-N569 WeakPolarHBondContact CB-OD1 3.49Å; L520-N569 WeakPolarHBondContact CG-OD1 3.44Å; L520-N569 PolarHBondContact N-OD1 2.77Å; L520-N569 VanDerWaalsContact N-OD1 3.11Å; L520-N571 WeakPolarHBondContact O-CB 3.43Å; L520-N571 PolarHBondContact O-ND2 3.48Å
521S95.3Very high97.2Very high9 Ų921.4 Ų21.46%0.06311%0.11CC..  trans-70.3154176.370.40000111.8T477 D482 S519 V523 S524 S525T477-S521 VanDerWaalsContact O-CB 3.27Å; T477-S521 WeakPolarHBondContact O-CB 3.5Å; D482-S521 WeakPolarHBondContact OD1-CB 3.45Å; D482-S521 PolarHBondContact OD1-N 2.94Å; D482-S521 PolarHBondContact OD1-OG 3.08Å; S519-S521 PolarHBondContact O-N 3.36Å; S521-V523 PolarHBondContact O-N 3.5Å; S521-V523 VanDerWaalsContact O-N 3.11Å; S521-S524 PolarHBondContact O-N 3.41Å; S521-S524 PolarHBondContact OG-N 3.3Å; S521-S524 PolarHBondContact OG-OG 3.24Å; S521-S525 PolarHBondContact O-N 2.9Å; S521-S525 PolarHBondContact O-OG 3.21Å
522M94Very high97.2Very high40 Ų4021.4 Ų21.420%0.19711%0.11CC..Hα-helixtrans-56-28.9175.1-168.159.175.800112.9N526 N571 Y574 T575 E896 V900M522-N526 WeakPolarHBondContact O-CB 3.3Å; M522-N526 PolarHBondContact O-N 3.03Å; M522-N526 PolarHBondContact O-ND2 3.31Å; M522-N571 HydrophobicContact CE-CB 4.02Å; M522-N571 HydrophobicContact SD-CB 4.42Å; M522-Y574 HydrophobicContact CE-CD1 3.65Å; M522-Y574 HydrophobicContact CE-CE1 4.36Å; M522-Y574 HydrophobicContact CE-CG 4.35Å; M522-Y574 HydrophobicContact SD-CD1 4.18Å; M522-T575 PolarHBondContact SD-OG1 3.36Å; M522-E896 HydrophobicContact CE-CG 4.45Å; M522-E896 WeakPolarHBondContact CE-OE1 3.47Å; M522-V900 HydrophobicContact CE-CG2 3.91Å
523V95.3Very high97.2Very high46 Ų4623.7 Ų23.728%0.27912%0.122SC..Hα-helixtrans-64.2-55.1173.9-178.70000110.1F476 I486 S521 S525 N526 K527F476-V523 HydrophobicContact CB-CB 4.35Å; F476-V523 HydrophobicContact CB-CG2 4.14Å; I486-V523 HydrophobicContact CD1-CG1 3.9Å; I486-V523 HydrophobicContact CG1-CG1 4.3Å; S521-V523 PolarHBondContact O-N 3.5Å; S521-V523 VanDerWaalsContact O-N 3.11Å; V523-S525 PolarHBondContact O-N 2.75Å; V523-N526 PolarHBondContact O-N 3.22Å; V523-K527 HydrophobicContact CG1-CG 4.35Å; V523-K527 WeakPolarHBondContact O-CB 3.39Å; V523-K527 WeakPolarHBondContact O-CG 3.49Å; V523-K527 PolarHBondContact O-N 2.94Å
524S97Very high97.1Very high0 Ų024.1 Ų24.10%013%0.126CC..Hα-helixtrans-62.4-41.7179-60.10000112.5D482 S521 N526 K527 I528D482-S524 WeakPolarHBondContact CA-OG 3.49Å; D482-S524 VanDerWaalsContact CB-OG 3.31Å; D482-S524 WeakPolarHBondContact CB-OG 3.42Å; D482-S524 WeakPolarHBondContact OD1-CB 3.47Å; D482-S524 PolarHBondContact OD1-OG 3.48Å; S521-S524 PolarHBondContact O-N 3.41Å; S521-S524 PolarHBondContact OG-N 3.3Å; S521-S524 PolarHBondContact OG-OG 3.24Å; S524-N526 PolarHBondContact O-N 2.81Å; S524-K527 WeakPolarHBondContact O-CB 3.19Å; S524-K527 PolarHBondContact O-N 3.19Å; S524-K527 VanDerWaalsContact O-N 3.1Å; S524-I528 WeakPolarHBondContact O-CG1 3.17Å; S524-I528 PolarHBondContact O-N 3.11Å
525S97.6Very high97.1Very high0 Ų024.4 Ų24.40%013%0.127CC..Hα-helixtrans-56.9-47.7174.6-58.90000111.8S521 V523 K527 L529 L572 T575S521-S525 PolarHBondContact O-N 2.9Å; S521-S525 PolarHBondContact O-OG 3.21Å; V523-S525 PolarHBondContact O-N 2.75Å; S525-K527 VanDerWaalsContact C-N 3.3Å; S525-K527 PolarHBondContact O-N 3.01Å; S525-L529 WeakPolarHBondContact O-CD1 3.31Å; S525-L529 PolarHBondContact O-N 3.22Å; S525-L572 WeakPolarHBondContact OG-CA 3.39Å; S525-L572 PolarHBondContact OG-N 2.94Å; S525-T575 VanDerWaalsContact CB-OG1 3.31Å; S525-T575 WeakPolarHBondContact CB-OG1 3.22Å
526N97.3Very high97Very high45 Ų4524.3 Ų24.324%0.24113%0.127CC..Hα-helixtrans-66.9-30.5175.9-85.5-81.8000113.2M522 V523 S524 H530M522-N526 WeakPolarHBondContact O-CB 3.3Å; M522-N526 PolarHBondContact O-N 3.03Å; M522-N526 PolarHBondContact O-ND2 3.31Å; V523-N526 PolarHBondContact O-N 3.22Å; S524-N526 PolarHBondContact O-N 2.81Å; N526-H530 VanDerWaalsContact O-CB 3.3Å; N526-H530 WeakPolarHBondContact O-CB 3.33Å; N526-H530 PolarHBondContact O-N 3.15Å
527K97.6Very high96.9Very high52 Ų5225.5 Ų25.523%0.22613%0.133CC..Hα-helixtrans-69.4-45.1177.7-69-93171.7-85.70111.9I485 H489 V523 S524 S525 H530 L531I485-K527 HydrophobicContact CG2-CB 4.39Å; H489-K527 HydrophobicContact CB-CB 4.19Å; H489-K527 HydrophobicContact CB-CD 3.87Å; H489-K527 PolarHBondContact CD2-O 3.01Å; H489-K527 WeakPolarHBondContact ND1-CD 3.39Å; V523-K527 HydrophobicContact CG1-CG 4.35Å; V523-K527 WeakPolarHBondContact O-CB 3.39Å; V523-K527 WeakPolarHBondContact O-CG 3.49Å; V523-K527 PolarHBondContact O-N 2.94Å; S524-K527 WeakPolarHBondContact O-CB 3.19Å; S524-K527 PolarHBondContact O-N 3.19Å; S524-K527 VanDerWaalsContact O-N 3.1Å; S525-K527 VanDerWaalsContact C-N 3.3Å; S525-K527 PolarHBondContact O-N 3.01Å; K527-H530 WeakPolarHBondContact O-CB 3.31Å; K527-H530 PolarHBondContact O-N 3.34Å; K527-L531 PolarHBondContact O-N 2.98Å
528I98.1Very high96.8Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..Hα-helixtrans-66.4-43.6176-54.8174.9000110.7I485 I510 L520 S524 H530 L531 L532 L554 V557 F558I485-I528 HydrophobicContact CD1-CD1 3.9Å; I485-I528 HydrophobicContact CG1-CD1 4.19Å; I485-I528 HydrophobicContact CG2-CD1 4.05Å; I485-I528 HydrophobicContact CG2-CG1 3.61Å; I510-I528 HydrophobicContact CG2-CD1 4.5Å; L520-I528 HydrophobicContact CD1-CD1 4.4Å; S524-I528 WeakPolarHBondContact O-CG1 3.17Å; S524-I528 PolarHBondContact O-N 3.11Å; I528-H530 VanDerWaalsContact C-N 3.26Å; I528-H530 PolarHBondContact O-N 3.06Å; I528-L531 WeakPolarHBondContact O-CB 3.41Å; I528-L531 PolarHBondContact O-N 3.3Å; I528-L531 VanDerWaalsContact O-N 3.1Å; I528-L532 PolarHBondContact O-N 3.26Å; I528-L532 VanDerWaalsContact O-N 3.09Å; I528-L554 HydrophobicContact CG2-CD2 3.67Å; I528-V557 HydrophobicContact CD1-CG1 4.21Å; I528-V557 HydrophobicContact CG2-CG1 4.18Å; I528-F558 HydrophobicContact CB-CE1 4.25Å; I528-F558 HydrophobicContact CB-CZ 4.31Å; I528-F558 HydrophobicContact CG2-CE1 3.67Å; I528-F558 HydrophobicContact CG2-CE2 4.41Å; I528-F558 HydrophobicContact CG2-CZ 3.53Å
529L98.2Very high96.7Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-67.4-24.7176-83.594.6000113.5S525 L532 D533 F558 L572 T575 I576 K579 F583S525-L529 WeakPolarHBondContact O-CD1 3.31Å; S525-L529 PolarHBondContact O-N 3.22Å; L529-L532 PolarHBondContact O-N 2.63Å; L529-D533 PolarHBondContact O-N 2.81Å; L529-F558 HydrophobicContact CD1-CD1 4.37Å; L529-F558 HydrophobicContact CD1-CE1 3.41Å; L529-F558 VanDerWaalsContact CD1-CE1 3.41Å; L529-F558 HydrophobicContact CD1-CZ 3.84Å; L529-F558 HydrophobicContact CG-CE1 3.86Å; L529-F558 HydrophobicContact CG-CZ 3.74Å; L529-L572 HydrophobicContact CD1-CD1 3.82Å; L529-T575 HydrophobicContact CB-CG2 4.31Å; L529-T575 HydrophobicContact CD1-CG2 3.85Å; L529-T575 HydrophobicContact CD2-CG2 4.2Å; L529-T575 HydrophobicContact CG-CG2 4.34Å; L529-I576 HydrophobicContact CD1-CG1 4.06Å; L529-I576 HydrophobicContact CD2-CG1 4.02Å; L529-K579 HydrophobicContact CB-CD 4.14Å; L529-K579 HydrophobicContact CD2-CB 3.89Å; L529-K579 HydrophobicContact CD2-CD 4.32Å; L529-F583 HydrophobicContact CD2-CE2 3.98Å; L529-F583 HydrophobicContact CD2-CZ 4.16Å
530H98.2Very high96.7Very high48 Ų4822 Ų2222%0.22211%0.111CC..Hα-helixtrans-67-39.7169.3-180-70.4000111.8H489 N526 K527 I528 L532 D533 A534H489-H530 AromaticContact NE2-CE1 3.97Å; H489-H530 AromaticContact NE2-CG 3.77Å; H489-H530 AromaticContact NE2-ND1 3.41Å; H489-H530 PolarHBondContact NE2-ND1 2.79Å; N526-H530 VanDerWaalsContact O-CB 3.3Å; N526-H530 WeakPolarHBondContact O-CB 3.33Å; N526-H530 PolarHBondContact O-N 3.15Å; K527-H530 WeakPolarHBondContact O-CB 3.31Å; K527-H530 PolarHBondContact O-N 3.34Å; I528-H530 VanDerWaalsContact C-N 3.26Å; I528-H530 PolarHBondContact O-N 3.06Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-L532 PolarHBondContact O-N 3.4Å; H530-D533 PolarHBondContact O-N 3.34Å; H530-A534 VanDerWaalsContact O-CB 3.32Å; H530-A534 WeakPolarHBondContact O-CB 3.28Å; H530-A534 PolarHBondContact O-N 3.33Å
531L98.4Very high96.6Very high2 Ų222 Ų221%0.0111%0.111CC..Hα-helixtrans-63.2-38.6173.4-59.9-178.1000111.3I492 T493 L507 K527 I528 A534 F535 L554I492-L531 HydrophobicContact CB-CD2 4.16Å; I492-L531 HydrophobicContact CD1-CD1 3.93Å; I492-L531 HydrophobicContact CD1-CD2 4.47Å; I492-L531 HydrophobicContact CG2-CD2 3.73Å; T493-L531 HydrophobicContact CG2-CD2 3.65Å; L507-L531 HydrophobicContact CD2-CD1 3.98Å; K527-L531 PolarHBondContact O-N 2.98Å; I528-L531 WeakPolarHBondContact O-CB 3.41Å; I528-L531 PolarHBondContact O-N 3.3Å; I528-L531 VanDerWaalsContact O-N 3.1Å; L531-A534 PolarHBondContact O-N 3.01Å; L531-F535 WeakPolarHBondContact O-CB 3.43Å; L531-F535 PolarHBondContact O-N 3.07Å; L531-L554 HydrophobicContact CB-CD1 3.88Å; L531-L554 HydrophobicContact CB-CD2 4.06Å
532L98.4Very high96.5Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-65.2-44.9173.5-173.272.7000111.6I528 L529 H530 A534 F535 S536 V551 L554 L555 F558 I582 F583 L586I528-L532 PolarHBondContact O-N 3.26Å; I528-L532 VanDerWaalsContact O-N 3.09Å; L529-L532 PolarHBondContact O-N 2.63Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-L532 PolarHBondContact O-N 3.4Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 2.97Å; L532-F535 PolarHBondContact O-N 3.03Å; L532-S536 WeakPolarHBondContact O-CB 3.28Å; L532-S536 PolarHBondContact O-N 3.4Å; L532-S536 PolarHBondContact O-OG 2.85Å; L532-V551 HydrophobicContact CD1-CG1 4.03Å; L532-L554 HydrophobicContact CB-CD1 4.45Å; L532-L554 HydrophobicContact CD1-CB 4.08Å; L532-L555 HydrophobicContact CD1-CD2 4.37Å; L532-F558 HydrophobicContact CB-CE2 4.04Å; L532-F558 HydrophobicContact CB-CZ 4.35Å; L532-F558 HydrophobicContact CD1-CE2 4.41Å; L532-F558 HydrophobicContact CD2-CD2 4.43Å; L532-F558 HydrophobicContact CD2-CE2 3.75Å; L532-F558 HydrophobicContact CD2-CZ 4.47Å; L532-F558 HydrophobicContact CG-CE2 4.27Å; L532-I582 HydrophobicContact CD2-CG2 3.72Å; L532-I582 HydrophobicContact CG-CG2 3.88Å; L532-F583 HydrophobicContact CD2-CD1 3.86Å; L532-F583 HydrophobicContact CD2-CE1 3.28Å; L532-F583 HydrophobicContact CD2-CE2 4.38Å; L532-F583 HydrophobicContact CD2-CZ 3.59Å; L532-L586 HydrophobicContact CD1-CD2 4.49Å
533D97.9Very high96.4Very high50 Ų5022.5 Ų22.527%0.26712%0.118SC..Hα-helixtrans-60.3-41.2178.6-149.2-12.5000111.6L529 H530 S536 Q537 I582 R585L529-D533 PolarHBondContact O-N 2.81Å; H530-D533 PolarHBondContact O-N 3.34Å; D533-S536 PolarHBondContact O-OG 2.81Å; D533-Q537 WeakPolarHBondContact O-CG 3.46Å; D533-Q537 PolarHBondContact O-NE2 2.78Å; D533-Q537 PolarHBondContact OD1-NE2 2.58Å; D533-I582 HydrophobicContact CB-CD1 3.69Å; D533-I582 HydrophobicContact CB-CG1 4.33Å; D533-R585 PolarHBondContact O-NH2 2.72Å; D533-R585 IonicContact OD1-CZ 3.57Å; D533-R585 VanDerWaalsContact OD1-CZ 3.28Å; D533-R585 IonicContact OD1-NH1 3.51Å; D533-R585 PolarHBondContact OD1-NH1 3.34Å; D533-R585 IonicContact OD1-NH2 2.68Å; D533-R585 PolarHBondContact OD1-NH2 3.21Å
534A96.6Very high96.1Very high10 Ų1023.6 Ų23.68%0.08312%0.123CC..Hα-helixtrans-65.6-51.917700000113.1H530 L531 L532 Q537 M614H530-A534 VanDerWaalsContact O-CB 3.32Å; H530-A534 WeakPolarHBondContact O-CB 3.28Å; H530-A534 PolarHBondContact O-N 3.33Å; L531-A534 PolarHBondContact O-N 3.01Å; L532-A534 VanDerWaalsContact C-N 3.29Å; L532-A534 PolarHBondContact O-N 2.97Å; A534-Q537 WeakPolarHBondContact O-CG 3.39Å; A534-M614 HydrophobicContact CB-CE 3.86Å; A534-M614 HydrophobicContact CB-SD 3.57Å; A534-M614 VanDerWaalsContact CB-SD 3.57Å
535F96.8Very high95.9Very high6 Ų626.1 Ų26.13%0.02614%0.139CC..Hα-helixtrans-82.4-14.3-175.7-62.2-32.2000114I492 F503 L507 L531 L532 Q537 F540 L541 L550 V551 L554I492-F535 HydrophobicContact CG2-CE1 4.4Å; I492-F535 HydrophobicContact CG2-CE2 4.05Å; I492-F535 HydrophobicContact CG2-CZ 3.47Å; I492-F535 VanDerWaalsContact CG2-CZ 3.47Å; F503-F535 HydrophobicContact CD2-CE1 4.29Å; F503-F535 AromaticContact CD2-CZ 3.82Å; F503-F535 HydrophobicContact CD2-CZ 3.82Å; F503-F535 HydrophobicContact CE2-CE1 4.45Å; F503-F535 HydrophobicContact CE2-CZ 4.23Å; L507-F535 HydrophobicContact CD1-CD2 4.26Å; L507-F535 HydrophobicContact CD1-CE2 4.02Å; L531-F535 WeakPolarHBondContact O-CB 3.43Å; L531-F535 PolarHBondContact O-N 3.07Å; L532-F535 PolarHBondContact O-N 3.03Å; F535-Q537 VanDerWaalsContact C-N 3.29Å; F535-F540 HydrophobicContact CB-CD1 4.14Å; F535-F540 HydrophobicContact CB-CE1 3.9Å; F535-F540 AromaticContact CD1-CD1 3.95Å; F535-F540 HydrophobicContact CD1-CD1 3.95Å; F535-F540 HydrophobicContact CD1-CD2 4.45Å; F535-F540 AromaticContact CD1-CE1 3.35Å; F535-F540 HydrophobicContact CD1-CE1 3.35Å; F535-F540 AromaticContact CD1-CE2 3.93Å; F535-F540 HydrophobicContact CD1-CE2 3.93Å; F535-F540 HydrophobicContact CD1-CG 4.47Å; F535-F540 AromaticContact CD1-CZ 3.34Å; F535-F540 HydrophobicContact CD1-CZ 3.34Å; F535-F540 HydrophobicContact CE1-CE1 4.09Å; F535-F540 HydrophobicContact CE1-CE2 4.05Å; F535-F540 AromaticContact CE1-CZ 3.59Å; F535-F540 HydrophobicContact CE1-CZ 3.59Å; F535-F540 HydrophobicContact CG-CD1 4.46Å; F535-F540 AromaticContact CG-CE1 3.87Å; F535-F540 HydrophobicContact CG-CE1 3.87Å; F535-F540 HydrophobicContact CG-CZ 4.24Å; F535-F540 WeakPolarHBondContact O-CD1 3.28Å; F535-L541 WeakPolarHBondContact O-CD2 3.5Å; F535-L541 WeakPolarHBondContact O-CG 3.45Å; F535-L550 HydrophobicContact CD1-CD1 4.34Å; F535-L550 HydrophobicContact CD2-CB 3.89Å; F535-L550 HydrophobicContact CD2-CD1 4.24Å; F535-L550 HydrophobicContact CE1-CD1 4.22Å; F535-L550 HydrophobicContact CE2-CB 4.28Å; F535-L550 HydrophobicContact CE2-CD1 4.13Å; F535-L550 HydrophobicContact CG-CB 4.33Å; F535-L550 HydrophobicContact CG-CD1 4.34Å; F535-L550 HydrophobicContact CZ-CD1 4.09Å; F535-V551 HydrophobicContact CB-CG2 3.74Å; F535-V551 VanDerWaalsContact O-CG2 3.23Å; F535-V551 WeakPolarHBondContact O-CG2 3.3Å; F535-L554 HydrophobicContact CD2-CD1 3.82Å
536S96.6Very high95.5Very high1 Ų128.5 Ų28.51%0.00716%0.156CC..THydrogen-bonded Turntrans-84.14.5171.762.80000114.4L532 D533 R585L532-S536 WeakPolarHBondContact O-CB 3.28Å; L532-S536 PolarHBondContact O-N 3.4Å; L532-S536 PolarHBondContact O-OG 2.85Å; D533-S536 PolarHBondContact O-OG 2.81Å; S536-R585 PolarHBondContact OG-NH2 3.34Å
537Q96.2Very high95.3Very high53 Ų5327.7 Ų27.725%0.24815%0.151CC..  trans-68.6131.3174.9-63.6-57.2-3800110.4D533 A534 F535 W539 F540 L541D533-Q537 WeakPolarHBondContact O-CG 3.46Å; D533-Q537 PolarHBondContact O-NE2 2.78Å; D533-Q537 PolarHBondContact OD1-NE2 2.58Å; A534-Q537 WeakPolarHBondContact O-CG 3.39Å; F535-Q537 VanDerWaalsContact C-N 3.29Å; Q537-W539 VanDerWaalsContact C-N 3.32Å; Q537-W539 HydrophobicContact CB-CG 4.48Å; Q537-W539 PolarHBondContact O-N 3.48Å; Q537-F540 HydrophobicContact CB-CB 4.22Å; Q537-F540 PolarHBondContact O-N 3.08Å; Q537-L541 PolarHBondContact O-N 2.86Å
538P95.1Very high95.1Very high24 Ų2426.5 Ų26.516%0.15615%0.146CC..Hα-helixtrans-54.9-44.1-178.4-2733.4000113.3F540 L541 Y542 L589 I599P538-F540 VanDerWaalsContact C-N 3.29Å; P538-F540 PolarHBondContact O-N 3.38Å; P538-L541 PolarHBondContact O-N 3.16Å; P538-Y542 HydrophobicContact CB-CD2 4.41Å; P538-Y542 HydrophobicContact CB-CE2 3.76Å; P538-Y542 WeakPolarHBondContact O-CB 3.22Å; P538-Y542 WeakPolarHBondContact O-CD2 3.45Å; P538-Y542 PolarHBondContact O-N 3.31Å; P538-L589 HydrophobicContact CB-CD1 4.1Å; P538-L589 HydrophobicContact CG-CD1 3.84Å; P538-I599 HydrophobicContact CB-CD1 3.95Å; P538-I599 HydrophobicContact CB-CG2 4.31Å
539W93.8Very high94.9Very high48 Ų4830.2 Ų30.218%0.18216%0.164CC..Hα-helixtrans-59.8-39.3178.469.3-98.7000112.1Q537 S543 I599 Q603 M614Q537-W539 VanDerWaalsContact C-N 3.32Å; Q537-W539 HydrophobicContact CB-CG 4.48Å; Q537-W539 PolarHBondContact O-N 3.48Å; W539-S543 WeakPolarHBondContact O-CB 3.4Å; W539-S543 PolarHBondContact O-N 2.94Å; W539-S543 PolarHBondContact O-OG 2.78Å; W539-I599 HydrophobicContact CB-CG2 3.77Å; W539-Q603 HydrophobicContact CB-CB 4.2Å; W539-Q603 HydrophobicContact CB-CG 4.06Å; W539-Q603 HydrophobicContact CD2-CG 4.08Å; W539-Q603 HydrophobicContact CE3-CG 3.9Å; W539-Q603 HydrophobicContact CG-CG 4.17Å; W539-M614 HydrophobicContact CH2-CE 4.36Å; W539-M614 HydrophobicContact CZ2-CE 4.29Å
540F94.8Very high94.8Very high27 Ų2730.5 Ų30.512%0.11817%0.165CC..Hα-helixtrans-70-47.9179.2178.6-91.9000110.6F535 Q537 P538 Y542 S543 N547 L550F535-F540 HydrophobicContact CB-CD1 4.14Å; F535-F540 HydrophobicContact CB-CE1 3.9Å; F535-F540 AromaticContact CD1-CD1 3.95Å; F535-F540 HydrophobicContact CD1-CD1 3.95Å; F535-F540 HydrophobicContact CD1-CD2 4.45Å; F535-F540 AromaticContact CD1-CE1 3.35Å; F535-F540 HydrophobicContact CD1-CE1 3.35Å; F535-F540 AromaticContact CD1-CE2 3.93Å; F535-F540 HydrophobicContact CD1-CE2 3.93Å; F535-F540 HydrophobicContact CD1-CG 4.47Å; F535-F540 AromaticContact CD1-CZ 3.34Å; F535-F540 HydrophobicContact CD1-CZ 3.34Å; F535-F540 HydrophobicContact CE1-CE1 4.09Å; F535-F540 HydrophobicContact CE1-CE2 4.05Å; F535-F540 AromaticContact CE1-CZ 3.59Å; F535-F540 HydrophobicContact CE1-CZ 3.59Å; F535-F540 HydrophobicContact CG-CD1 4.46Å; F535-F540 AromaticContact CG-CE1 3.87Å; F535-F540 HydrophobicContact CG-CE1 3.87Å; F535-F540 HydrophobicContact CG-CZ 4.24Å; F535-F540 WeakPolarHBondContact O-CD1 3.28Å; Q537-F540 HydrophobicContact CB-CB 4.22Å; Q537-F540 PolarHBondContact O-N 3.08Å; P538-F540 VanDerWaalsContact C-N 3.29Å; P538-F540 PolarHBondContact O-N 3.38Å; F540-Y542 PolarHBondContact O-N 3.22Å; F540-S543 PolarHBondContact O-N 2.81Å; F540-S543 VanDerWaalsContact O-N 3.11Å; F540-N547 HydrophobicContact CD1-CB 4.09Å; F540-N547 HydrophobicContact CE1-CB 3.67Å; F540-N547 HydrophobicContact CZ-CB 4.18Å; F540-N547 PolarHBondContact O-ND2 2.9Å; F540-L550 HydrophobicContact CE1-CD1 3.92Å; F540-L550 HydrophobicContact CZ-CD1 3.73Å
541L94.7Very high94.8Very high0 Ų028.2 Ų28.20%016%0.155CC..Hα-helixtrans-56.6-38177.3-73.6168.8000112.4F535 Q537 P538 H548 V551 L586 L589 W860 W864F535-L541 WeakPolarHBondContact O-CD2 3.5Å; F535-L541 WeakPolarHBondContact O-CG 3.45Å; Q537-L541 PolarHBondContact O-N 2.86Å; P538-L541 PolarHBondContact O-N 3.16Å; L541-H548 HydrophobicContact CD2-CB 4.21Å; L541-V551 HydrophobicContact CD2-CG2 3.94Å; L541-L586 HydrophobicContact CD1-CD1 3.9Å; L541-L589 HydrophobicContact CD1-CD1 3.85Å; L541-L589 HydrophobicContact CD1-CD2 3.88Å; L541-W860 WeakPolarHBondContact O-CH2 3.09Å; L541-W864 HydrophobicContact CB-CH2 4.33Å; L541-W864 HydrophobicContact CD1-CH2 4.23Å; L541-W864 HydrophobicContact CD2-CH2 4.21Å
542Y94.6Very high94.7Very high2 Ų230.2 Ų30.21%0.00816%0.163CC..Hα-helixtrans-85.2-9-179.2-54.2-21.6000114P538 F540 L589 P590 I596 I599 W854 P856 W860 V861P538-Y542 HydrophobicContact CB-CD2 4.41Å; P538-Y542 HydrophobicContact CB-CE2 3.76Å; P538-Y542 WeakPolarHBondContact O-CB 3.22Å; P538-Y542 WeakPolarHBondContact O-CD2 3.45Å; P538-Y542 PolarHBondContact O-N 3.31Å; F540-Y542 PolarHBondContact O-N 3.22Å; Y542-L589 HydrophobicContact CE1-CD2 4.18Å; Y542-L589 WeakPolarHBondContact OH-CG 3.41Å; Y542-P590 PolarHBondContact OH-O 2.92Å; Y542-I596 HydrophobicContact CD2-CB 4.45Å; Y542-I596 HydrophobicContact CD2-CG1 4.38Å; Y542-I596 HydrophobicContact CD2-CG2 4.09Å; Y542-I596 HydrophobicContact CE1-CG1 4.48Å; Y542-I596 HydrophobicContact CE2-CB 4.39Å; Y542-I596 HydrophobicContact CE2-CG1 3.94Å; Y542-I596 HydrophobicContact CE2-CG2 4.48Å; Y542-I596 HydrophobicContact CG-CG2 4.3Å; Y542-I599 HydrophobicContact CD2-CB 4.38Å; Y542-I599 HydrophobicContact CD2-CG2 4.02Å; Y542-I599 HydrophobicContact CE2-CB 4.49Å; Y542-I599 HydrophobicContact CE2-CD1 3.92Å; Y542-I599 HydrophobicContact CE2-CG2 4.31Å; Y542-W854 WeakPolarHBondContact O-CZ3 3.06Å; Y542-P856 WeakPolarHBondContact O-CG 3.47Å; Y542-W860 HydrophobicContact CD1-CZ3 4.48Å; Y542-V861 HydrophobicContact CD1-CG2 4.07Å; Y542-V861 HydrophobicContact CE1-CG1 4.15Å; Y542-V861 HydrophobicContact CE1-CG2 3.85Å
543S90.7Very high94.6Very high58 Ų5830.8 Ų30.841%0.40617%0.166SC..THydrogen-bonded Turntrans-79.8-14.5-175.4-68.90000114.8W539 F540W539-S543 WeakPolarHBondContact O-CB 3.4Å; W539-S543 PolarHBondContact O-N 2.94Å; W539-S543 PolarHBondContact O-OG 2.78Å; F540-S543 PolarHBondContact O-N 2.81Å; F540-S543 VanDerWaalsContact O-N 3.11Å
544N89.7Confident94.6Very high69 Ų6928.4 Ų28.437%0.36915%0.153SC..SBendtrans-157.9141.3-178.6-175.9-73.1000110.5S546 N547N544-S546 PolarHBondContact O-N 3.09Å; N544-S546 VanDerWaalsContact O-N 3.08Å; N544-S546 WeakPolarHBondContact OD1-CB 3.39Å; N544-S546 PolarHBondContact OD1-N 2.66Å; N544-N547 HydrophobicContact CB-CB 4.38Å; N544-N547 PolarHBondContact O-N 3.08Å
545P91.5Very high94.7Very high52 Ų5227.9 Ų27.934%0.33815%0.15SC..THydrogen-bonded Turntrans-61.5-20.7-177.424.2-34.5000114.2H548 W854 W860P545-H548 PolarHBondContact O-CE1 2.92Å; P545-H548 PolarHBondContact O-ND1 3.48Å; P545-W854 HydrophobicContact CB-CD2 4.1Å; P545-W854 HydrophobicContact CB-CH2 4.35Å; P545-W854 HydrophobicContact CB-CZ2 3.87Å; P545-W854 HydrophobicContact CG-CD2 4.18Å; P545-W854 HydrophobicContact CG-CE3 4.45Å; P545-W854 HydrophobicContact CG-CG 4.47Å; P545-W860 WeakPolarHBondContact O-CZ2 3.35Å
546S89.4Confident94.7Very high51 Ų5128.7 Ų28.736%0.35715%0.153SC..THydrogen-bonded Turntrans-94.6-18.3-178.8-58.60000114.4N544 H548 Q549N544-S546 PolarHBondContact O-N 3.09Å; N544-S546 VanDerWaalsContact O-N 3.08Å; N544-S546 WeakPolarHBondContact OD1-CB 3.39Å; N544-S546 PolarHBondContact OD1-N 2.66Å; S546-H548 PolarHBondContact O-N 3.31Å; S546-Q549 WeakPolarHBondContact O-CB 3.48Å; S546-Q549 PolarHBondContact O-N 2.96Å
547N93.4Very high94.8Very high27 Ų2728.7 Ų28.714%0.14415%0.153CC..Hα-helixtrans-59-26.1-168.9-83.90.1000114.4F540 N544 Q549 L550F540-N547 HydrophobicContact CD1-CB 4.09Å; F540-N547 HydrophobicContact CE1-CB 3.67Å; F540-N547 HydrophobicContact CZ-CB 4.18Å; F540-N547 PolarHBondContact O-ND2 2.9Å; N544-N547 HydrophobicContact CB-CB 4.38Å; N544-N547 PolarHBondContact O-N 3.08Å; N547-Q549 PolarHBondContact O-N 3.1Å; N547-L550 PolarHBondContact O-N 3.05Å
548H94.1Very high94.9Very high28 Ų2826.2 Ų26.213%0.1314%0.142CC..Hα-helixtrans-63.2-27.8174.470.9-87.3000113L541 P545 S546 L550 V551 F552 W860 W864L541-H548 HydrophobicContact CD2-CB 4.21Å; P545-H548 PolarHBondContact O-CE1 2.92Å; P545-H548 PolarHBondContact O-ND1 3.48Å; S546-H548 PolarHBondContact O-N 3.31Å; H548-L550 VanDerWaalsContact C-N 3.33Å; H548-L550 PolarHBondContact O-N 2.95Å; H548-V551 PolarHBondContact O-N 3.28Å; H548-V551 VanDerWaalsContact O-N 3.12Å; H548-F552 WeakPolarHBondContact O-CD2 3.31Å; H548-F552 PolarHBondContact O-N 3.07Å; H548-F552 VanDerWaalsContact O-N 3.08Å; H548-W860 AromaticContact ND1-CZ2 3.74Å; H548-W864 HydrophobicContact CB-CD2 3.78Å; H548-W864 HydrophobicContact CB-CE3 3.97Å; H548-W864 HydrophobicContact CB-CG 4.31Å; H548-W864 HydrophobicContact CB-CH2 4.23Å; H548-W864 HydrophobicContact CB-CZ2 4.03Å; H548-W864 HydrophobicContact CB-CZ3 4.21Å; H548-W864 AromaticContact CD2-CG 3.83Å; H548-W864 AromaticContact CG-CD2 3.93Å; H548-W864 AromaticContact CG-CG 3.91Å; H548-W864 AromaticContact ND1-CD1 3.98Å; H548-W864 AromaticContact ND1-NE1 4Å
549Q94.6Very high95Very high78 Ų7825.3 Ų25.336%0.36414%0.136SC..Hα-helixtrans-67-32.4-178.5-61.7-160.956.700112.7S546 N547 V551 F552 L553S546-Q549 WeakPolarHBondContact O-CB 3.48Å; S546-Q549 PolarHBondContact O-N 2.96Å; N547-Q549 PolarHBondContact O-N 3.1Å; Q549-V551 VanDerWaalsContact C-N 3.26Å; Q549-V551 PolarHBondContact O-N 3.11Å; Q549-F552 WeakPolarHBondContact O-CB 3.32Å; Q549-F552 PolarHBondContact O-N 3.44Å; Q549-L553 WeakPolarHBondContact O-CG 3.42Å; Q549-L553 PolarHBondContact O-N 3.14Å
550L96Very high95.1Very high7 Ų723.1 Ų23.14%0.03713%0.127CC..Hα-helixtrans-58.5-39.6172-58.9172.4000111.5F503 D504 L507 F535 F540 N547 H548 L554F503-L550 HydrophobicContact CB-CD2 3.81Å; D504-L550 HydrophobicContact CB-CD2 4.49Å; D504-L550 WeakPolarHBondContact OD1-CD2 3.43Å; L507-L550 HydrophobicContact CD1-CB 3.72Å; L507-L550 HydrophobicContact CD1-CD2 3.68Å; L507-L550 HydrophobicContact CD1-CG 4.3Å; L507-L550 WeakPolarHBondContact CD1-O 3.22Å; F535-L550 HydrophobicContact CD1-CD1 4.34Å; F535-L550 HydrophobicContact CD2-CB 3.89Å; F535-L550 HydrophobicContact CD2-CD1 4.24Å; F535-L550 HydrophobicContact CE1-CD1 4.22Å; F535-L550 HydrophobicContact CE2-CB 4.28Å; F535-L550 HydrophobicContact CE2-CD1 4.13Å; F535-L550 HydrophobicContact CG-CB 4.33Å; F535-L550 HydrophobicContact CG-CD1 4.34Å; F535-L550 HydrophobicContact CZ-CD1 4.09Å; F540-L550 HydrophobicContact CE1-CD1 3.92Å; F540-L550 HydrophobicContact CZ-CD1 3.73Å; N547-L550 PolarHBondContact O-N 3.05Å; H548-L550 VanDerWaalsContact C-N 3.33Å; H548-L550 PolarHBondContact O-N 2.95Å; L550-L554 WeakPolarHBondContact O-CG 3.45Å; L550-L554 PolarHBondContact O-N 2.93Å; L550-L554 VanDerWaalsContact O-N 3.11Å
551V97.3Very high95.2Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-72.8-37.2176.7176.30000111.7L532 F535 L541 H548 Q549 L554 L555 L586 M868L532-V551 HydrophobicContact CD1-CG1 4.03Å; F535-V551 HydrophobicContact CB-CG2 3.74Å; F535-V551 VanDerWaalsContact O-CG2 3.23Å; F535-V551 WeakPolarHBondContact O-CG2 3.3Å; L541-V551 HydrophobicContact CD2-CG2 3.94Å; H548-V551 PolarHBondContact O-N 3.28Å; H548-V551 VanDerWaalsContact O-N 3.12Å; Q549-V551 VanDerWaalsContact C-N 3.26Å; Q549-V551 PolarHBondContact O-N 3.11Å; V551-L554 PolarHBondContact O-N 2.7Å; V551-L555 HydrophobicContact CG1-CD1 4.13Å; V551-L555 HydrophobicContact CG1-CG 4.31Å; V551-L555 WeakPolarHBondContact O-CG 3.34Å; V551-L555 PolarHBondContact O-N 3.18Å; V551-L586 HydrophobicContact CG1-CD1 4.35Å; V551-L586 HydrophobicContact CG1-CD2 3.48Å; V551-L586 VanDerWaalsContact CG1-CD2 3.48Å; V551-M868 HydrophobicContact CB-CE 4.21Å; V551-M868 HydrophobicContact CG1-CE 3.67Å
552F96.8Very high95.3Very high44 Ų4422 Ų2219%0.19312%0.123CC..Hα-helixtrans-59.6-45.5171.6-90.7-101.8000111.9H548 Q549 L554 L555 E556 W864 K867 M868H548-F552 WeakPolarHBondContact O-CD2 3.31Å; H548-F552 PolarHBondContact O-N 3.07Å; H548-F552 VanDerWaalsContact O-N 3.08Å; Q549-F552 WeakPolarHBondContact O-CB 3.32Å; Q549-F552 PolarHBondContact O-N 3.44Å; F552-L554 VanDerWaalsContact C-N 3.34Å; F552-L554 PolarHBondContact O-N 3.21Å; F552-L555 PolarHBondContact O-N 3.28Å; F552-E556 WeakPolarHBondContact O-CB 3.16Å; F552-E556 PolarHBondContact O-N 3.42Å; F552-W864 HydrophobicContact CE2-CB 4.35Å; F552-W864 WeakPolarHBondContact CZ-O 3.21Å; F552-K867 HydrophobicContact CE1-CB 4.24Å; F552-K867 VanDerWaalsContact CE1-O 3.25Å; F552-K867 WeakPolarHBondContact CE1-O 3.2Å; F552-K867 HydrophobicContact CZ-CB 3.97Å; F552-M868 HydrophobicContact CD2-CE 4.23Å; F552-M868 HydrophobicContact CD2-CG 4.42Å; F552-M868 HydrophobicContact CE2-CE 4.02Å; F552-M868 HydrophobicContact CE2-CG 3.68Å; F552-M868 HydrophobicContact CZ-CB 4.48Å; F552-M868 HydrophobicContact CZ-CG 3.81Å
553L96.6Very high95.3Very high11 Ų1123.4 Ų23.46%0.05813%0.129CC..Hα-helixtrans-60.8-41.2176-70.8169.7000112L507 A511 Q549 E556 V557L507-L553 HydrophobicContact CB-CB 3.96Å; L507-L553 HydrophobicContact CB-CD1 3.75Å; L507-L553 HydrophobicContact CB-CG 4.48Å; L507-L553 HydrophobicContact CD1-CB 4.46Å; A511-L553 HydrophobicContact CB-CD2 4.1Å; Q549-L553 WeakPolarHBondContact O-CG 3.42Å; Q549-L553 PolarHBondContact O-N 3.14Å; L553-E556 PolarHBondContact O-N 3.32Å; L553-V557 WeakPolarHBondContact O-CG2 3.32Å; L553-V557 PolarHBondContact O-N 2.83Å
554L98.2Very high95.5Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-68.7-41.6177-75.3163.7000112.9L507 I528 L531 L532 F535 L550 V551 F552 E556 V557 F558L507-L554 HydrophobicContact CD1-CD1 4.15Å; L507-L554 HydrophobicContact CD1-CG 4.07Å; L507-L554 HydrophobicContact CD2-CD1 4.46Å; L507-L554 HydrophobicContact CD2-CD2 3.81Å; L507-L554 HydrophobicContact CD2-CG 4.03Å; I528-L554 HydrophobicContact CG2-CD2 3.67Å; L531-L554 HydrophobicContact CB-CD1 3.88Å; L531-L554 HydrophobicContact CB-CD2 4.06Å; L532-L554 HydrophobicContact CB-CD1 4.45Å; L532-L554 HydrophobicContact CD1-CB 4.08Å; F535-L554 HydrophobicContact CD2-CD1 3.82Å; L550-L554 WeakPolarHBondContact O-CG 3.45Å; L550-L554 PolarHBondContact O-N 2.93Å; L550-L554 VanDerWaalsContact O-N 3.11Å; V551-L554 PolarHBondContact O-N 2.7Å; F552-L554 VanDerWaalsContact C-N 3.34Å; F552-L554 PolarHBondContact O-N 3.21Å; L554-E556 VanDerWaalsContact C-N 3.29Å; L554-E556 PolarHBondContact O-N 2.8Å; L554-V557 WeakPolarHBondContact O-CB 3.5Å; L554-V557 PolarHBondContact O-N 3.18Å; L554-F558 HydrophobicContact CB-CE2 4.34Å; L554-F558 WeakPolarHBondContact O-CD2 3.48Å; L554-F558 WeakPolarHBondContact O-CE2 3.35Å; L554-F558 PolarHBondContact O-N 3.49Å; L554-F558 VanDerWaalsContact O-N 3.12Å
555L97.8Very high95.7Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-62.3-38.4173.5-68.9175000111.3L532 V551 F552 F558 N559 F583 L586 M868 P869 F870 I873L532-L555 HydrophobicContact CD1-CD2 4.37Å; V551-L555 HydrophobicContact CG1-CD1 4.13Å; V551-L555 HydrophobicContact CG1-CG 4.31Å; V551-L555 WeakPolarHBondContact O-CG 3.34Å; V551-L555 PolarHBondContact O-N 3.18Å; F552-L555 PolarHBondContact O-N 3.28Å; L555-F558 PolarHBondContact O-N 3.21Å; L555-N559 WeakPolarHBondContact O-CB 3.13Å; L555-N559 PolarHBondContact O-N 2.74Å; L555-N559 PolarHBondContact O-ND2 3.46Å; L555-F583 HydrophobicContact CD2-CD1 4.18Å; L555-F583 HydrophobicContact CD2-CE1 4.13Å; L555-L586 HydrophobicContact CD1-CD2 4.22Å; L555-M868 HydrophobicContact CD1-CB 4.13Å; L555-M868 HydrophobicContact CD1-CG 4.34Å; L555-M868 HydrophobicContact CD1-SD 4.41Å; L555-P869 HydrophobicContact CB-CG 4.02Å; L555-F870 HydrophobicContact CD2-CE1 4.41Å; L555-I873 HydrophobicContact CD2-CD1 3.8Å
556E97Very high95.8Very high23 Ų2321 Ų2111%0.10710%0.102CC..Hα-helixtrans-62.8-43173.2-167.3-178.3128.100112.3F552 L553 L554 F558 N559 N560 R921F552-E556 WeakPolarHBondContact O-CB 3.16Å; F552-E556 PolarHBondContact O-N 3.42Å; L553-E556 PolarHBondContact O-N 3.32Å; L554-E556 VanDerWaalsContact C-N 3.29Å; L554-E556 PolarHBondContact O-N 2.8Å; E556-F558 PolarHBondContact O-N 3.32Å; E556-N559 PolarHBondContact O-N 3.37Å; E556-N560 VanDerWaalsContact O-CB 3.29Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 2.95Å; E556-N560 PolarHBondContact O-ND2 3.36Å; E556-R921 IonicContact OE1-CZ 3.2Å; E556-R921 IonicContact OE1-NH1 2.83Å; E556-R921 PolarHBondContact OE1-NH1 3.32Å; E556-R921 IonicContact OE1-NH2 3.32Å; E556-R921 IonicContact OE2-CZ 2.82Å; E556-R921 IonicContact OE2-NH1 4Å; E556-R921 PolarHBondContact OE2-NH1 2.95Å; E556-R921 IonicContact OE2-NH2 3.72Å; E556-R921 PolarHBondContact OE2-NH2 2.96Å
557V98.2Very high95.8Very high1 Ų124.6 Ų24.61%0.00612%0.117CC..Hα-helixtrans-56-47.4173.8167.20000111.7I510 A511 I528 L553 L554 I561I510-V557 HydrophobicContact CB-CG2 4.31Å; I510-V557 HydrophobicContact CG2-CG1 4.01Å; I510-V557 HydrophobicContact CG2-CG2 3.76Å; A511-V557 HydrophobicContact CB-CG2 4.03Å; I528-V557 HydrophobicContact CD1-CG1 4.21Å; I528-V557 HydrophobicContact CG2-CG1 4.18Å; L553-V557 WeakPolarHBondContact O-CG2 3.32Å; L553-V557 PolarHBondContact O-N 2.83Å; L554-V557 WeakPolarHBondContact O-CB 3.5Å; L554-V557 PolarHBondContact O-N 3.18Å; V557-I561 HydrophobicContact CG1-CD1 3.95Å; V557-I561 WeakPolarHBondContact O-CG1 3.43Å; V557-I561 PolarHBondContact O-N 2.7Å; V557-I561 VanDerWaalsContact O-N 3.16Å
558F98.1Very high95.7Very high0 Ų024.7 Ų24.70%013%0.125CC..Hα-helixtrans-65-47.7177.3-61.1-57.2000111.4I528 L529 L532 L554 L555 E556 N560 I561 I562 L572 I576 F583 I873I528-F558 HydrophobicContact CB-CE1 4.25Å; I528-F558 HydrophobicContact CB-CZ 4.31Å; I528-F558 HydrophobicContact CG2-CE1 3.67Å; I528-F558 HydrophobicContact CG2-CE2 4.41Å; I528-F558 HydrophobicContact CG2-CZ 3.53Å; L529-F558 HydrophobicContact CD1-CD1 4.37Å; L529-F558 HydrophobicContact CD1-CE1 3.41Å; L529-F558 VanDerWaalsContact CD1-CE1 3.41Å; L529-F558 HydrophobicContact CD1-CZ 3.84Å; L529-F558 HydrophobicContact CG-CE1 3.86Å; L529-F558 HydrophobicContact CG-CZ 3.74Å; L532-F558 HydrophobicContact CB-CE2 4.04Å; L532-F558 HydrophobicContact CB-CZ 4.35Å; L532-F558 HydrophobicContact CD1-CE2 4.41Å; L532-F558 HydrophobicContact CD2-CD2 4.43Å; L532-F558 HydrophobicContact CD2-CE2 3.75Å; L532-F558 HydrophobicContact CD2-CZ 4.47Å; L532-F558 HydrophobicContact CG-CE2 4.27Å; L554-F558 HydrophobicContact CB-CE2 4.34Å; L554-F558 WeakPolarHBondContact O-CD2 3.48Å; L554-F558 WeakPolarHBondContact O-CE2 3.35Å; L554-F558 PolarHBondContact O-N 3.49Å; L554-F558 VanDerWaalsContact O-N 3.12Å; L555-F558 PolarHBondContact O-N 3.21Å; E556-F558 PolarHBondContact O-N 3.32Å; F558-N560 VanDerWaalsContact C-N 3.34Å; F558-N560 PolarHBondContact O-N 3.3Å; F558-I561 PolarHBondContact O-N 3.01Å; F558-I562 HydrophobicContact CB-CD1 4.33Å; F558-I562 WeakPolarHBondContact O-CB 3.47Å; F558-I562 VanDerWaalsContact O-CD1 3.3Å; F558-I562 WeakPolarHBondContact O-CD1 3.45Å; F558-I562 WeakPolarHBondContact O-CG1 3.39Å; F558-I562 PolarHBondContact O-N 3.46Å; F558-L572 HydrophobicContact CD1-CD1 4.32Å; F558-L572 HydrophobicContact CD1-CD2 4.35Å; F558-L572 HydrophobicContact CE1-CD1 4.11Å; F558-I576 HydrophobicContact CD1-CD1 4.01Å; F558-I576 HydrophobicContact CG-CD1 4.5Å; F558-F583 HydrophobicContact CD2-CE1 4.1Å; F558-F583 HydrophobicContact CD2-CZ 4.27Å; F558-F583 HydrophobicContact CE2-CE1 4.38Å; F558-F583 HydrophobicContact CE2-CZ 4.36Å; F558-I873 HydrophobicContact CB-CD1 3.97Å; F558-I873 HydrophobicContact CB-CG1 4.26Å
559N97.1Very high95.8Very high6 Ų623.4 Ų23.43%0.03212%0.119CC..Hα-helixtrans-59.7-42.3179.7-72.1-26.1000112.4L555 E556 I562 Q563 P869 T872 I873L555-N559 WeakPolarHBondContact O-CB 3.13Å; L555-N559 PolarHBondContact O-N 2.74Å; L555-N559 PolarHBondContact O-ND2 3.46Å; E556-N559 PolarHBondContact O-N 3.37Å; N559-I562 PolarHBondContact O-N 3.19Å; N559-Q563 WeakPolarHBondContact O-CB 3.28Å; N559-Q563 WeakPolarHBondContact O-CG 3.48Å; N559-Q563 PolarHBondContact O-N 3.5Å; N559-P869 PolarHBondContact ND2-O 2.81Å; N559-T872 WeakPolarHBondContact OD1-CB 3.42Å; N559-I873 WeakPolarHBondContact OD1-CD1 3.39Å; N559-I873 WeakPolarHBondContact OD1-CG1 3.35Å
560N97.3Very high95.8Very high1 Ų120 Ų201%0.00510%0.104CC..Hα-helixtrans-61.3-47.3176.5-76.4-20.5000111.7S514 P515 E556 F558 Y564 H916S514-N560 VanDerWaalsContact OG-CB 3.27Å; S514-N560 WeakPolarHBondContact OG-CB 3.18Å; S514-N560 PolarHBondContact OG-ND2 3.45Å; P515-N560 HydrophobicContact CB-CB 4.47Å; P515-N560 HydrophobicContact CG-CB 4.09Å; E556-N560 VanDerWaalsContact O-CB 3.29Å; E556-N560 WeakPolarHBondContact O-CB 3.34Å; E556-N560 PolarHBondContact O-N 2.95Å; E556-N560 PolarHBondContact O-ND2 3.36Å; F558-N560 VanDerWaalsContact C-N 3.34Å; F558-N560 PolarHBondContact O-N 3.3Å; N560-Y564 WeakPolarHBondContact O-CB 3.45Å; N560-Y564 WeakPolarHBondContact O-CD2 3.46Å; N560-Y564 PolarHBondContact O-N 3.43Å; N560-H916 PolarHBondContact OD1-NE2 3.37Å
561I97.3Very high95.8Very high2 Ų221.6 Ų21.61%0.0111%0.112CC..Hα-helixtrans-68.4-38.8-179.5-63.3164.4000110.9S514 L520 V557 F558 Q565 F566 N569 L572S514-I561 VanDerWaalsContact O-CG1 3.27Å; S514-I561 WeakPolarHBondContact O-CG1 3.48Å; L520-I561 HydrophobicContact CD1-CD1 3.87Å; V557-I561 HydrophobicContact CG1-CD1 3.95Å; V557-I561 WeakPolarHBondContact O-CG1 3.43Å; V557-I561 PolarHBondContact O-N 2.7Å; V557-I561 VanDerWaalsContact O-N 3.16Å; F558-I561 PolarHBondContact O-N 3.01Å; I561-Q565 HydrophobicContact CG2-CB 4.46Å; I561-Q565 CarbonylContact O-C 3.2Å; I561-Q565 WeakPolarHBondContact O-CA 3.2Å; I561-Q565 PolarHBondContact O-N 3.09Å; I561-F566 PolarHBondContact O-N 3.32Å; I561-N569 HydrophobicContact CG2-CB 3.66Å; I561-L572 HydrophobicContact CB-CD2 3.88Å; I561-L572 HydrophobicContact CD1-CD2 3.7Å; I561-L572 HydrophobicContact CG1-CD2 4.39Å; I561-L572 HydrophobicContact CG2-CD2 3.55Å
562I95.8Very high95.8Very high3 Ų321.6 Ų21.62%0.01511%0.112CC..Hα-helixtrans-67-42.9177.7-62.9158.7000111.6F558 N559 I576 T872 I873 L876 L912F558-I562 HydrophobicContact CB-CD1 4.33Å; F558-I562 WeakPolarHBondContact O-CB 3.47Å; F558-I562 VanDerWaalsContact O-CD1 3.3Å; F558-I562 WeakPolarHBondContact O-CD1 3.45Å; F558-I562 WeakPolarHBondContact O-CG1 3.39Å; F558-I562 PolarHBondContact O-N 3.46Å; N559-I562 PolarHBondContact O-N 3.19Å; I562-I576 HydrophobicContact CD1-CD1 4.18Å; I562-T872 HydrophobicContact CB-CG2 4.05Å; I562-T872 HydrophobicContact CG2-CG2 3.62Å; I562-I873 HydrophobicContact CD1-CG1 3.76Å; I562-L876 HydrophobicContact CD1-CD2 3.66Å; I562-L876 HydrophobicContact CG1-CD2 3.98Å; I562-L876 HydrophobicContact CG2-CD1 4.35Å; I562-L876 HydrophobicContact CG2-CD2 4.43Å; I562-L912 HydrophobicContact CG2-CD1 3.77Å; I562-L912 HydrophobicContact CG2-CD2 4.12Å
563Q94.5Very high95.8Very high30 Ų3019.7 Ų19.714%0.1410%0.104CC..Hα-helixtrans-78.3-31.3-178-71.1-71.323.400113.8N559 T872 P913 P915N559-Q563 WeakPolarHBondContact O-CB 3.28Å; N559-Q563 WeakPolarHBondContact O-CG 3.48Å; N559-Q563 PolarHBondContact O-N 3.5Å; Q563-T872 HydrophobicContact CG-CG2 3.86Å; Q563-P913 PolarHBondContact NE2-O 3.49Å; Q563-P915 HydrophobicContact CB-CB 4.28Å; Q563-P915 HydrophobicContact CG-CB 4.44Å
564Y94.9Very high95.8Very high76 Ų7620.5 Ų20.530%0.29811%0.107SC..Hα-helixtrans-113.5-19.7-170.4-63.8-61.7000115.6P515 N560 P915 H916 I918P515-Y564 HydrophobicContact CB-CD2 4Å; N560-Y564 WeakPolarHBondContact O-CB 3.45Å; N560-Y564 WeakPolarHBondContact O-CD2 3.46Å; N560-Y564 PolarHBondContact O-N 3.43Å; Y564-P915 HydrophobicContact CE1-CB 4.18Å; Y564-H916 PolarHBondContact OH-O 3.11Å; Y564-I918 HydrophobicContact CD2-CD1 4.21Å; Y564-I918 HydrophobicContact CD2-CG1 4.04Å; Y564-I918 HydrophobicContact CE1-CD1 4.34Å; Y564-I918 HydrophobicContact CE1-CG1 4.45Å; Y564-I918 HydrophobicContact CE2-CD1 3.88Å; Y564-I918 HydrophobicContact CE2-CG1 3.33Å
565Q95Very high95.7Very high35 Ų3520.6 Ų20.616%0.16411%0.107CC..SBendtrans-140.427.9-172.1-53.8-60.7-24.100113P515 L517 K518 I561 D567 G568 N569P515-Q565 WeakPolarHBondContact O-CG 3.49Å; P515-Q565 PolarHBondContact O-NE2 2.97Å; L517-Q565 WeakPolarHBondContact O-CB 3.4Å; L517-Q565 WeakPolarHBondContact O-CG 3.48Å; K518-Q565 VanDerWaalsContact CG-OE1 3.25Å; I561-Q565 HydrophobicContact CG2-CB 4.46Å; I561-Q565 CarbonylContact O-C 3.2Å; I561-Q565 WeakPolarHBondContact O-CA 3.2Å; I561-Q565 PolarHBondContact O-N 3.09Å; Q565-D567 PolarHBondContact O-N 3.1Å; Q565-G568 PolarHBondContact O-N 2.92Å; Q565-N569 WeakPolarHBondContact CB-ND2 3.41Å; Q565-N569 PolarHBondContact O-N 2.97Å; Q565-N569 PolarHBondContact O-ND2 2.87Å
566F93.6Very high95.7Very high18 Ų1820.6 Ų20.68%0.07911%0.107CC..G310 helixtrans-50.8-55.7-176.7176.2-99.1000112.8I561 G568 N569 V573 L876 L880 L908I561-F566 PolarHBondContact O-N 3.32Å; F566-G568 PolarHBondContact O-N 3.34Å; F566-N569 PolarHBondContact O-N 3.4Å; F566-V573 HydrophobicContact CD2-CG2 3.79Å; F566-V573 HydrophobicContact CE2-CB 4.39Å; F566-V573 HydrophobicContact CE2-CG1 4.02Å; F566-V573 HydrophobicContact CE2-CG2 3.56Å; F566-L876 HydrophobicContact CE2-CD1 4.11Å; F566-L880 HydrophobicContact CE2-CD1 4.2Å; F566-L880 HydrophobicContact CZ-CD1 4.31Å; F566-L908 HydrophobicContact CD1-CD1 4.49Å; F566-L908 HydrophobicContact CD1-CG 4.48Å; F566-L908 HydrophobicContact CD2-CD1 3.54Å; F566-L908 HydrophobicContact CD2-CG 4.34Å; F566-L908 HydrophobicContact CE1-CD1 4.3Å; F566-L908 HydrophobicContact CE1-CG 4.1Å; F566-L908 HydrophobicContact CE2-CD1 3.28Å; F566-L908 HydrophobicContact CE2-CG 3.93Å; F566-L908 HydrophobicContact CG-CD1 4.16Å; F566-L908 HydrophobicContact CZ-CD1 3.72Å; F566-L908 HydrophobicContact CZ-CG 3.81Å
567D88.9Confident95.7Very high126 Ų12619.9 Ų19.967%0.67410%0.104SC*.G310 helixtrans-53.2-34.4-174-42.4-20.4000112.5Q565Q565-D567 PolarHBondContact O-N 3.1Å
568G91.3Very high95.6Very high30 Ų3026.7 Ų26.731%0.30913%0.13SC..G310 helixtrans-84.1-13.4179.600000115.1S519 Q565 F566S519-G568 WeakPolarHBondContact CA-O 3.5Å; S519-G568 PolarHBondContact N-O 3.01Å; Q565-G568 PolarHBondContact O-N 2.92Å; F566-G568 PolarHBondContact O-N 3.34Å
569N95.8Very high95.5Very high1 Ų129.4 Ų29.41%0.00514%0.142CC..  trans-122.734.5-163.6-71.5-74.2000114.6L517 S519 L520 I561 Q565 F566 N571 L572 V573L517-N569 PolarHBondContact O-ND2 2.91Å; S519-N569 PolarHBondContact N-OD1 3.43Å; L520-N569 WeakPolarHBondContact CB-OD1 3.49Å; L520-N569 WeakPolarHBondContact CG-OD1 3.44Å; L520-N569 PolarHBondContact N-OD1 2.77Å; L520-N569 VanDerWaalsContact N-OD1 3.11Å; I561-N569 HydrophobicContact CG2-CB 3.66Å; Q565-N569 WeakPolarHBondContact CB-ND2 3.41Å; Q565-N569 PolarHBondContact O-N 2.97Å; Q565-N569 PolarHBondContact O-ND2 2.87Å; F566-N569 PolarHBondContact O-N 3.4Å; N569-N571 PolarHBondContact O-N 3.47Å; N569-N571 VanDerWaalsContact O-N 3.13Å; N569-L572 HydrophobicContact CB-CB 4.25Å; N569-L572 WeakPolarHBondContact O-CA 3.33Å; N569-L572 WeakPolarHBondContact O-CB 3.48Å; N569-L572 PolarHBondContact O-N 2.91Å; N569-V573 PolarHBondContact O-N 3.24Å; N569-V573 VanDerWaalsContact O-N 3.09Å
570S95Very high95.5Very high7 Ų731.9 Ų31.95%0.04915%0.151CC..Hα-helixtrans-43.9-40.417148.70000114.9L572 V573 Y574 Q904S570-L572 VanDerWaalsContact C-N 3.35Å; S570-L572 PolarHBondContact O-N 2.85Å; S570-V573 PolarHBondContact O-N 2.71Å; S570-Y574 WeakPolarHBondContact O-CB 3.14Å; S570-Y574 PolarHBondContact O-N 2.88Å; S570-Q904 WeakPolarHBondContact OG-CG 3.33Å; S570-Q904 PolarHBondContact OG-NE2 3.42Å
571N95.9Very high95.5Very high39 Ų3937.9 Ų37.921%0.20918%0.179CC..Hα-helixtrans-59-41.9174.3-67.5-35.3000112.9L520 M522 N569 T575L520-N571 WeakPolarHBondContact O-CB 3.43Å; L520-N571 PolarHBondContact O-ND2 3.48Å; M522-N571 HydrophobicContact CE-CB 4.02Å; M522-N571 HydrophobicContact SD-CB 4.42Å; N569-N571 PolarHBondContact O-N 3.47Å; N569-N571 VanDerWaalsContact O-N 3.13Å; N571-T575 WeakPolarHBondContact O-CB 3.48Å; N571-T575 PolarHBondContact O-N 2.99Å; N571-T575 PolarHBondContact O-OG1 3.27Å
572L97.2Very high95.5Very high1 Ų138.1 Ų38.11%0.00518%0.18CC..Hα-helixtrans-70.4-44.5178.9-171.970.7000110.7S525 L529 F558 I561 N569 S570 Y574 T575 I576S525-L572 WeakPolarHBondContact OG-CA 3.39Å; S525-L572 PolarHBondContact OG-N 2.94Å; L529-L572 HydrophobicContact CD1-CD1 3.82Å; F558-L572 HydrophobicContact CD1-CD1 4.32Å; F558-L572 HydrophobicContact CD1-CD2 4.35Å; F558-L572 HydrophobicContact CE1-CD1 4.11Å; I561-L572 HydrophobicContact CB-CD2 3.88Å; I561-L572 HydrophobicContact CD1-CD2 3.7Å; I561-L572 HydrophobicContact CG1-CD2 4.39Å; I561-L572 HydrophobicContact CG2-CD2 3.55Å; N569-L572 HydrophobicContact CB-CB 4.25Å; N569-L572 WeakPolarHBondContact O-CA 3.33Å; N569-L572 WeakPolarHBondContact O-CB 3.48Å; N569-L572 PolarHBondContact O-N 2.91Å; S570-L572 VanDerWaalsContact C-N 3.35Å; S570-L572 PolarHBondContact O-N 2.85Å; L572-Y574 VanDerWaalsContact C-N 3.35Å; L572-Y574 PolarHBondContact O-N 3.39Å; L572-T575 PolarHBondContact O-N 3.25Å; L572-T575 VanDerWaalsContact O-N 3.15Å; L572-I576 HydrophobicContact CG-CD1 4.08Å; L572-I576 WeakPolarHBondContact O-CG1 3.26Å; L572-I576 PolarHBondContact O-N 3.49Å
573V96.6Very high95.6Very high4 Ų438 Ų382%0.02418%0.179CC..Hα-helixtrans-59.2-46.2176.8175.90000110.7F566 N569 S570 T575 I576 I577 L876 L880 L903F566-V573 HydrophobicContact CD2-CG2 3.79Å; F566-V573 HydrophobicContact CE2-CB 4.39Å; F566-V573 HydrophobicContact CE2-CG1 4.02Å; F566-V573 HydrophobicContact CE2-CG2 3.56Å; N569-V573 PolarHBondContact O-N 3.24Å; N569-V573 VanDerWaalsContact O-N 3.09Å; S570-V573 PolarHBondContact O-N 2.71Å; V573-T575 PolarHBondContact O-N 3.19Å; V573-I576 PolarHBondContact O-N 3.34Å; V573-I577 HydrophobicContact CG1-CD1 4.02Å; V573-I577 WeakPolarHBondContact O-CG1 3.47Å; V573-I577 PolarHBondContact O-N 3.31Å; V573-L876 HydrophobicContact CG1-CD1 4.31Å; V573-L880 HydrophobicContact CG1-CD1 3.55Å; V573-L903 HydrophobicContact CG1-CD1 4.31Å; V573-L903 HydrophobicContact CG1-CD2 4.1Å
574Y95.9Very high95.7Very high27 Ų2740 Ų4011%0.10619%0.186CC..Hα-helixtrans-58.7-46.6173.1177.2-93.7000111.9M522 S570 L572 I576 I577 R578 E896 I899 V900 L903M522-Y574 HydrophobicContact CE-CD1 3.65Å; M522-Y574 HydrophobicContact CE-CE1 4.36Å; M522-Y574 HydrophobicContact CE-CG 4.35Å; M522-Y574 HydrophobicContact SD-CD1 4.18Å; S570-Y574 WeakPolarHBondContact O-CB 3.14Å; S570-Y574 PolarHBondContact O-N 2.88Å; L572-Y574 VanDerWaalsContact C-N 3.35Å; L572-Y574 PolarHBondContact O-N 3.39Å; Y574-I576 VanDerWaalsContact C-N 3.3Å; Y574-I576 PolarHBondContact O-N 2.84Å; Y574-I577 PolarHBondContact O-N 3.4Å; Y574-R578 HydrophobicContact CE1-CB 4.29Å; Y574-R578 WeakPolarHBondContact O-CB 3.37Å; Y574-R578 PolarHBondContact O-N 2.93Å; Y574-E896 HydrophobicContact CD1-CG 4.19Å; Y574-E896 HydrophobicContact CE1-CG 3.53Å; Y574-E896 VanDerWaalsContact CE1-OE2 3.28Å; Y574-E896 WeakPolarHBondContact CE1-OE2 3.17Å; Y574-E896 HydrophobicContact CE2-CG 4.28Å; Y574-E896 PolarHBondContact OH-OE2 3.38Å; Y574-E896 VanDerWaalsContact OH-OE2 3.08Å; Y574-I899 HydrophobicContact CD2-CB 4.2Å; Y574-I899 HydrophobicContact CD2-CG2 3.68Å; Y574-I899 HydrophobicContact CE2-CB 4.01Å; Y574-I899 HydrophobicContact CE2-CD1 4.13Å; Y574-I899 HydrophobicContact CE2-CG2 3.76Å; Y574-V900 HydrophobicContact CD1-CG2 4.44Å; Y574-V900 HydrophobicContact CD2-CG2 4.28Å; Y574-V900 HydrophobicContact CG-CG2 3.95Å; Y574-L903 HydrophobicContact CD2-CD1 4.27Å
575T97.2Very high95.7Very high2 Ų240.5 Ų40.51%0.01219%0.187CC..Hα-helixtrans-61.9-38.2178.8-51.40000111.6M522 S525 L529 N571 L572 V573 R578 K579M522-T575 PolarHBondContact SD-OG1 3.36Å; S525-T575 VanDerWaalsContact CB-OG1 3.31Å; S525-T575 WeakPolarHBondContact CB-OG1 3.22Å; L529-T575 HydrophobicContact CB-CG2 4.31Å; L529-T575 HydrophobicContact CD1-CG2 3.85Å; L529-T575 HydrophobicContact CD2-CG2 4.2Å; L529-T575 HydrophobicContact CG-CG2 4.34Å; N571-T575 WeakPolarHBondContact O-CB 3.48Å; N571-T575 PolarHBondContact O-N 2.99Å; N571-T575 PolarHBondContact O-OG1 3.27Å; L572-T575 PolarHBondContact O-N 3.25Å; L572-T575 VanDerWaalsContact O-N 3.15Å; V573-T575 PolarHBondContact O-N 3.19Å; T575-R578 PolarHBondContact O-N 3.04Å; T575-K579 HydrophobicContact CG2-CD 4.44Å; T575-K579 WeakPolarHBondContact O-CB 3.38Å; T575-K579 PolarHBondContact O-N 2.82Å
576I97.8Very high95.7Very high0 Ų038.8 Ų38.80%018%0.179CC..Hα-helixtrans-64.3-45.7174.7-71.6166.2000111.2L529 F558 I562 L572 V573 Y574 K579 R580 F583 I873 L876 L877L529-I576 HydrophobicContact CD1-CG1 4.06Å; L529-I576 HydrophobicContact CD2-CG1 4.02Å; F558-I576 HydrophobicContact CD1-CD1 4.01Å; F558-I576 HydrophobicContact CG-CD1 4.5Å; I562-I576 HydrophobicContact CD1-CD1 4.18Å; L572-I576 HydrophobicContact CG-CD1 4.08Å; L572-I576 WeakPolarHBondContact O-CG1 3.26Å; L572-I576 PolarHBondContact O-N 3.49Å; V573-I576 PolarHBondContact O-N 3.34Å; Y574-I576 VanDerWaalsContact C-N 3.3Å; Y574-I576 PolarHBondContact O-N 2.84Å; I576-K579 CarbonylContact O-C 3.58Å; I576-K579 PolarHBondContact O-N 2.9Å; I576-R580 VanDerWaalsContact O-CA 3.31Å; I576-R580 WeakPolarHBondContact O-CA 3.4Å; I576-R580 PolarHBondContact O-N 3.01Å; I576-F583 HydrophobicContact CB-CE2 4.39Å; I576-F583 HydrophobicContact CG1-CE2 4.29Å; I576-F583 HydrophobicContact CG1-CZ 4.21Å; I576-F583 HydrophobicContact CG2-CE2 3.87Å; I576-F583 HydrophobicContact CG2-CZ 4.33Å; I576-I873 HydrophobicContact CG2-CG2 4.42Å; I576-L876 HydrophobicContact CD1-CD2 4.43Å; I576-L876 HydrophobicContact CG2-CD2 4.05Å; I576-L877 HydrophobicContact CG2-CD2 3.95Å; I576-L877 HydrophobicContact CG2-CG 4.37Å
577I96.3Very high95.7Very high9 Ų939.4 Ų39.45%0.04619%0.187CC..Hα-helixtrans-61.7-46.4175.9-70.9166000110.8V573 Y574 K579 R580 L877 L880 V881 V884 L903V573-I577 HydrophobicContact CG1-CD1 4.02Å; V573-I577 WeakPolarHBondContact O-CG1 3.47Å; V573-I577 PolarHBondContact O-N 3.31Å; Y574-I577 PolarHBondContact O-N 3.4Å; I577-K579 PolarHBondContact O-N 3.32Å; I577-R580 WeakPolarHBondContact O-CB 3.2Å; I577-R580 WeakPolarHBondContact O-CD 3.37Å; I577-R580 VanDerWaalsContact O-CG 3.31Å; I577-R580 WeakPolarHBondContact O-CG 3.07Å; I577-R580 PolarHBondContact O-N 3.22Å; I577-R580 PolarHBondContact O-NH1 3.27Å; I577-L877 HydrophobicContact CG1-CD2 4.35Å; I577-L880 HydrophobicContact CD1-CB 3.73Å; I577-L880 HydrophobicContact CD1-CD1 4.23Å; I577-L880 HydrophobicContact CG1-CB 4.5Å; I577-V881 HydrophobicContact CG1-CG2 4.34Å; I577-V881 HydrophobicContact CG2-CG2 4.26Å; I577-V884 HydrophobicContact CD1-CG2 4.12Å; I577-V884 HydrophobicContact CG2-CG1 4.46Å; I577-L903 HydrophobicContact CD1-CD1 4.29Å; I577-L903 HydrophobicContact CD1-CD2 4.12Å
578R95.6Very high96Very high144 Ų14439.5 Ų39.554%0.54319%0.188SC..Hα-helixtrans-63.4-38.2178.9-175.5171.5173-177.7-4.6112.3Y574 T575 E896Y574-R578 HydrophobicContact CE1-CB 4.29Å; Y574-R578 WeakPolarHBondContact O-CB 3.37Å; Y574-R578 PolarHBondContact O-N 2.93Å; T575-R578 PolarHBondContact O-N 3.04Å; R578-E896 IonicContact CZ-OE2 3.49Å; R578-E896 IonicContact NH1-OE1 3.52Å; R578-E896 IonicContact NH1-OE2 2.64Å; R578-E896 PolarHBondContact NH1-OE2 3.26Å
579K96.7Very high96.1Very high57 Ų5738.3 Ų38.325%0.24817%0.174CC..THydrogen-bonded Turntrans-103.222.6179.7-61.8-168.7172.9-165.80114.5L529 T575 I576 I577 Q581 I582L529-K579 HydrophobicContact CB-CD 4.14Å; L529-K579 HydrophobicContact CD2-CB 3.89Å; L529-K579 HydrophobicContact CD2-CD 4.32Å; T575-K579 HydrophobicContact CG2-CD 4.44Å; T575-K579 WeakPolarHBondContact O-CB 3.38Å; T575-K579 PolarHBondContact O-N 2.82Å; I576-K579 CarbonylContact O-C 3.58Å; I576-K579 PolarHBondContact O-N 2.9Å; I577-K579 PolarHBondContact O-N 3.32Å; K579-Q581 PolarHBondContact O-N 3.17Å; K579-I582 HydrophobicContact CB-CD1 3.87Å; K579-I582 HydrophobicContact CB-CG1 4.42Å; K579-I582 HydrophobicContact CD-CD1 4.05Å; K579-I582 PolarHBondContact O-N 2.99Å
580R97.5Very high95.9Very high58 Ų5840.2 Ų40.222%0.21919%0.187CC..THydrogen-bonded Turntrans-50.3-30-174.962.1-170.8174.7-71.57.1115.3I576 I577 I582 F583 Y584 L877 E885I576-R580 VanDerWaalsContact O-CA 3.31Å; I576-R580 WeakPolarHBondContact O-CA 3.4Å; I576-R580 PolarHBondContact O-N 3.01Å; I577-R580 WeakPolarHBondContact O-CB 3.2Å; I577-R580 WeakPolarHBondContact O-CD 3.37Å; I577-R580 VanDerWaalsContact O-CG 3.31Å; I577-R580 WeakPolarHBondContact O-CG 3.07Å; I577-R580 PolarHBondContact O-N 3.22Å; I577-R580 PolarHBondContact O-NH1 3.27Å; R580-I582 PolarHBondContact O-N 3.32Å; R580-F583 PolarHBondContact O-N 2.8Å; R580-F583 VanDerWaalsContact O-N 3.14Å; R580-Y584 HydrophobicContact CB-CE2 3.96Å; R580-Y584 HydrophobicContact CG-CD2 4.5Å; R580-Y584 HydrophobicContact CG-CE2 3.77Å; R580-Y584 PolarHBondContact O-N 3.11Å; R580-L877 HydrophobicContact CB-CD1 4.06Å; R580-L877 HydrophobicContact CB-CD2 3.62Å; R580-L877 HydrophobicContact CB-CG 4.49Å; R580-E885 IonicContact CZ-OE1 2.89Å; R580-E885 IonicContact NE-OE1 3.86Å; R580-E885 IonicContact NH2-OE1 3.71Å; R580-E885 PolarHBondContact NH2-OE1 2.88Å
581Q97.3Very high95.8Very high127 Ų12741.7 Ų41.759%0.59320%0.195SC*.Hα-helixtrans-59.4-26.3177-59.9-62.2-10.300114.4K579 Y584 R585K579-Q581 PolarHBondContact O-N 3.17Å; Q581-Y584 PolarHBondContact O-N 3.17Å; Q581-R585 VanDerWaalsContact O-CB 3.23Å; Q581-R585 WeakPolarHBondContact O-CB 3.38Å; Q581-R585 PolarHBondContact O-N 2.82Å
582I97.3Very high95.7Very high6 Ų643 Ų433%0.03120%0.202CC..Hα-helixtrans-62.5-45.5174.9-60.1171.6000110.3L532 D533 K579 R580 R585 L586L532-I582 HydrophobicContact CD2-CG2 3.72Å; L532-I582 HydrophobicContact CG-CG2 3.88Å; D533-I582 HydrophobicContact CB-CD1 3.69Å; D533-I582 HydrophobicContact CB-CG1 4.33Å; K579-I582 HydrophobicContact CB-CD1 3.87Å; K579-I582 HydrophobicContact CB-CG1 4.42Å; K579-I582 HydrophobicContact CD-CD1 4.05Å; K579-I582 PolarHBondContact O-N 2.99Å; R580-I582 PolarHBondContact O-N 3.32Å; I582-R585 PolarHBondContact O-N 3.02Å; I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 PolarHBondContact O-N 3.08Å
583F97.3Very high95.5Very high0 Ų045.8 Ų45.80%022%0.215CC..Hα-helixtrans-69.5-40-179.6-56.8-82000111.3L529 L532 L555 F558 I576 R580 L586 A587 F870 I873 M874 L877L529-F583 HydrophobicContact CD2-CE2 3.98Å; L529-F583 HydrophobicContact CD2-CZ 4.16Å; L532-F583 HydrophobicContact CD2-CD1 3.86Å; L532-F583 HydrophobicContact CD2-CE1 3.28Å; L532-F583 HydrophobicContact CD2-CE2 4.38Å; L532-F583 HydrophobicContact CD2-CZ 3.59Å; L555-F583 HydrophobicContact CD2-CD1 4.18Å; L555-F583 HydrophobicContact CD2-CE1 4.13Å; F558-F583 HydrophobicContact CD2-CE1 4.1Å; F558-F583 HydrophobicContact CD2-CZ 4.27Å; F558-F583 HydrophobicContact CE2-CE1 4.38Å; F558-F583 HydrophobicContact CE2-CZ 4.36Å; I576-F583 HydrophobicContact CB-CE2 4.39Å; I576-F583 HydrophobicContact CG1-CE2 4.29Å; I576-F583 HydrophobicContact CG1-CZ 4.21Å; I576-F583 HydrophobicContact CG2-CE2 3.87Å; I576-F583 HydrophobicContact CG2-CZ 4.33Å; R580-F583 PolarHBondContact O-N 2.8Å; R580-F583 VanDerWaalsContact O-N 3.14Å; F583-L586 PolarHBondContact O-N 2.99Å; F583-A587 WeakPolarHBondContact O-CB 3.29Å; F583-A587 PolarHBondContact O-N 3.22Å; F583-F870 HydrophobicContact CB-CE1 4.42Å; F583-I873 HydrophobicContact CB-CG2 4.49Å; F583-I873 HydrophobicContact CD1-CD1 4.34Å; F583-I873 HydrophobicContact CD1-CG2 3.66Å; F583-I873 HydrophobicContact CD2-CG2 4.26Å; F583-I873 HydrophobicContact CE1-CD1 4.03Å; F583-I873 HydrophobicContact CE1-CG2 3.84Å; F583-I873 HydrophobicContact CE2-CG2 4.44Å; F583-I873 HydrophobicContact CG-CG2 3.88Å; F583-I873 HydrophobicContact CZ-CG2 4.23Å; F583-M874 HydrophobicContact CB-CE 4.01Å; F583-M874 WeakPolarHBondContact O-CE 3.37Å; F583-L877 HydrophobicContact CB-CD1 4.38Å; F583-L877 HydrophobicContact CD2-CD1 4.38Å
584Y96Very high95.4Very high72 Ų7250.2 Ų50.228%0.28224%0.244SC..Hα-helixtrans-65.4-38.7174.3-56.2-33.4000112.4R580 Q581 N588 M874 L877R580-Y584 HydrophobicContact CB-CE2 3.96Å; R580-Y584 HydrophobicContact CG-CD2 4.5Å; R580-Y584 HydrophobicContact CG-CE2 3.77Å; R580-Y584 PolarHBondContact O-N 3.11Å; Q581-Y584 PolarHBondContact O-N 3.17Å; Y584-N588 WeakPolarHBondContact O-CB 3.47Å; Y584-N588 PolarHBondContact O-N 2.83Å; Y584-N588 PolarHBondContact O-ND2 2.96Å; Y584-M874 HydrophobicContact CD1-CE 4.11Å; Y584-M874 HydrophobicContact CD1-SD 3.99Å; Y584-M874 HydrophobicContact CE1-SD 3.9Å; Y584-L877 HydrophobicContact CE1-CD1 4.02Å
585R95.5Very high95.3Very high87 Ų8751.3 Ų51.333%0.32825%0.254SS..Hα-helixtrans-63.9-43.6174.4-174.9-175.771.1-149-2111.9D533 S536 Q581 I582 N588 L589D533-R585 PolarHBondContact O-NH2 2.72Å; D533-R585 IonicContact OD1-CZ 3.57Å; D533-R585 VanDerWaalsContact OD1-CZ 3.28Å; D533-R585 IonicContact OD1-NH1 3.51Å; D533-R585 PolarHBondContact OD1-NH1 3.34Å; D533-R585 IonicContact OD1-NH2 2.68Å; D533-R585 PolarHBondContact OD1-NH2 3.21Å; S536-R585 PolarHBondContact OG-NH2 3.34Å; Q581-R585 VanDerWaalsContact O-CB 3.23Å; Q581-R585 WeakPolarHBondContact O-CB 3.38Å; Q581-R585 PolarHBondContact O-N 2.82Å; I582-R585 PolarHBondContact O-N 3.02Å; R585-N588 CarbonylContact O-C 3.28Å; R585-N588 VanDerWaalsContact O-C 3.28Å; R585-N588 PolarHBondContact O-N 2.9Å; R585-L589 PolarHBondContact O-N 3.22Å; R585-L589 VanDerWaalsContact O-N 3.1Å
586L95.1Very high95.1Very high0 Ų051.2 Ų51.20%025%0.254CS..Hα-helixtrans-71.8-36.8179.8-17766.2000112.5L532 L541 V551 L555 I582 F583 N588 L589 M868 F870L532-L586 HydrophobicContact CD1-CD2 4.49Å; L541-L586 HydrophobicContact CD1-CD1 3.9Å; V551-L586 HydrophobicContact CG1-CD1 4.35Å; V551-L586 HydrophobicContact CG1-CD2 3.48Å; V551-L586 VanDerWaalsContact CG1-CD2 3.48Å; L555-L586 HydrophobicContact CD1-CD2 4.22Å; I582-L586 WeakPolarHBondContact O-CB 3.33Å; I582-L586 PolarHBondContact O-N 3.08Å; F583-L586 PolarHBondContact O-N 2.99Å; L586-N588 VanDerWaalsContact C-N 3.31Å; L586-N588 PolarHBondContact O-N 3.16Å; L586-L589 VanDerWaalsContact O-CB 3.26Å; L586-L589 WeakPolarHBondContact O-CB 3.41Å; L586-L589 PolarHBondContact O-N 2.96Å; L586-M868 HydrophobicContact CD1-CE 4.18Å; L586-M868 HydrophobicContact CD1-SD 4.13Å; L586-M868 HydrophobicContact CD2-CE 4.44Å; L586-M868 HydrophobicContact CD2-SD 4.12Å; L586-M868 HydrophobicContact CG-SD 4.01Å; L586-F870 HydrophobicContact CB-CZ 4Å; L586-F870 HydrophobicContact CD2-CE1 4.34Å; L586-F870 HydrophobicContact CD2-CZ 3.81Å; L586-F870 HydrophobicContact CG-CZ 3.75Å
587A94Very high94.8Very high30 Ų3054.1 Ų54.125%0.24827%0.269CS..Hα-helixtrans-63.6-39.6172.100000111.5F583 L589 K865 F870 M874F583-A587 WeakPolarHBondContact O-CB 3.29Å; F583-A587 PolarHBondContact O-N 3.22Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 PolarHBondContact O-N 3.5Å; A587-K865 WeakPolarHBondContact O-CE 3.34Å; A587-K865 PolarHBondContact O-NZ 3.12Å; A587-F870 HydrophobicContact CB-CE1 4.36Å; A587-F870 HydrophobicContact CB-CE2 4.11Å; A587-F870 HydrophobicContact CB-CZ 3.99Å; A587-M874 HydrophobicContact CB-CE 3.75Å
588N93.9Very high94.6Very high129 Ų12957.3 Ų57.369%0.6929%0.292SS*.THydrogen-bonded Turntrans-90.326.5175.7-63.5-69.3000113.4Y584 R585 L586Y584-N588 WeakPolarHBondContact O-CB 3.47Å; Y584-N588 PolarHBondContact O-N 2.83Å; Y584-N588 PolarHBondContact O-ND2 2.96Å; R585-N588 CarbonylContact O-C 3.28Å; R585-N588 VanDerWaalsContact O-C 3.28Å; R585-N588 PolarHBondContact O-N 2.9Å; L586-N588 VanDerWaalsContact C-N 3.31Å; L586-N588 PolarHBondContact O-N 3.16Å
589L93.3Very high94.5Very high4 Ų452.4 Ų52.42%0.02128%0.276CS..  trans-55.6135176-172.876.6000110.8P538 L541 Y542 R585 L586 A587 V861 W864 K865P538-L589 HydrophobicContact CB-CD1 4.1Å; P538-L589 HydrophobicContact CG-CD1 3.84Å; L541-L589 HydrophobicContact CD1-CD1 3.85Å; L541-L589 HydrophobicContact CD1-CD2 3.88Å; Y542-L589 HydrophobicContact CE1-CD2 4.18Å; Y542-L589 WeakPolarHBondContact OH-CG 3.41Å; R585-L589 PolarHBondContact O-N 3.22Å; R585-L589 VanDerWaalsContact O-N 3.1Å; L586-L589 VanDerWaalsContact O-CB 3.26Å; L586-L589 WeakPolarHBondContact O-CB 3.41Å; L586-L589 PolarHBondContact O-N 2.96Å; A587-L589 VanDerWaalsContact C-N 3.28Å; A587-L589 PolarHBondContact O-N 3.5Å; L589-V861 HydrophobicContact CD2-CG1 4.12Å; L589-W864 HydrophobicContact CD2-CH2 3.53Å; L589-W864 HydrophobicContact CD2-CZ3 3.95Å; L589-K865 HydrophobicContact CB-CD 4.38Å; L589-K865 PolarHBondContact O-NZ 3.43Å
590P92.5Very high94Very high41 Ų4151 Ų5127%0.26627%0.271SS..  trans-55.4149.8173.2-24.834.2000112.3Y542 T595Y542-P590 PolarHBondContact OH-O 2.92Å; P590-T595 HydrophobicContact CB-CG2 3.69Å; P590-T595 HydrophobicContact CG-CG2 3.99Å
591T92.7Very high93.5Very high38 Ų3852.8 Ų52.823%0.23329%0.285CS..  trans-135.2-10.8177540000113.2I596 S858 V861 K865T591-I596 WeakPolarHBondContact O-CD1 3.43Å; T591-S858 VanDerWaalsContact O-CA 3.3Å; T591-S858 WeakPolarHBondContact O-CA 3.39Å; T591-S858 WeakPolarHBondContact O-CB 3.46Å; T591-S858 PolarHBondContact O-OG 2.95Å; T591-V861 HydrophobicContact CG2-CG1 3.98Å; T591-K865 HydrophobicContact CG2-CD 3.56Å
592D93.7Very high92.9Very high66 Ų6653.5 Ų53.535%0.35329%0.286SS..  trans-75.3137.9-179.963.5-71.4000111.6P594 T595 I596D592-P594 VanDerWaalsContact C-CD 3.45Å; D592-T595 VanDerWaalsContact CG-OG1 3.3Å; D592-T595 PolarHBondContact O-N 3.28Å; D592-T595 WeakPolarHBondContact OD1-CB 3.45Å; D592-T595 PolarHBondContact OD1-OG1 2.83Å; D592-T595 WeakPolarHBondContact OD2-CB 3.12Å; D592-T595 PolarHBondContact OD2-N 2.9Å; D592-T595 PolarHBondContact OD2-OG1 3.42Å; D592-I596 WeakPolarHBondContact O-CG1 3.41Å; D592-I596 PolarHBondContact O-N 3.11Å
593Q94.2Very high92Very high60 Ų6055.6 Ų55.628%0.2830%0.296SS..Hα-helixtrans-56.6-40.2-177.9-158.168.855.300114T595 I596 N597 P856 T857Q593-T595 PolarHBondContact O-N 3.49Å; Q593-I596 PolarHBondContact O-N 3.47Å; Q593-N597 PolarHBondContact NE2-OD1 2.93Å; Q593-N597 WeakPolarHBondContact O-CB 3.31Å; Q593-N597 VanDerWaalsContact O-CG 3.26Å; Q593-N597 PolarHBondContact O-N 3.35Å; Q593-N597 PolarHBondContact O-OD1 3.4Å; Q593-P856 PolarHBondContact NE2-O 3.44Å; Q593-T857 VanDerWaalsContact OE1-CA 3.27Å
594P93.6Very high90.5Very high97 Ų9761 Ų6163%0.6332%0.323SS*.Hα-helixtrans-60-44177.5-2536.2000113.1D592 S598D592-P594 VanDerWaalsContact C-CD 3.45Å; P594-S598 WeakPolarHBondContact O-CB 3.47Å; P594-S598 PolarHBondContact O-N 3.32Å
595T93.6Very high88.8Confident51 Ų5165.8 Ų65.831%0.31335%0.345SS..Hα-helixtrans-70.7-40.6178.1-59.80000112P590 D592 Q593 S598 I599P590-T595 HydrophobicContact CB-CG2 3.69Å; P590-T595 HydrophobicContact CG-CG2 3.99Å; D592-T595 VanDerWaalsContact CG-OG1 3.3Å; D592-T595 PolarHBondContact O-N 3.28Å; D592-T595 WeakPolarHBondContact OD1-CB 3.45Å; D592-T595 PolarHBondContact OD1-OG1 2.83Å; D592-T595 WeakPolarHBondContact OD2-CB 3.12Å; D592-T595 PolarHBondContact OD2-N 2.9Å; D592-T595 PolarHBondContact OD2-OG1 3.42Å; Q593-T595 PolarHBondContact O-N 3.49Å; T595-S598 PolarHBondContact O-N 2.81Å; T595-I599 HydrophobicContact CG2-CD1 3.68Å; T595-I599 HydrophobicContact CG2-CG1 4.41Å; T595-I599 WeakPolarHBondContact O-CB 3.35Å; T595-I599 WeakPolarHBondContact O-CD1 3.39Å; T595-I599 VanDerWaalsContact O-CG1 3.26Å; T595-I599 WeakPolarHBondContact O-CG1 3.33Å; T595-I599 PolarHBondContact O-N 3.25Å
596I93.2Very high87.1Confident0 Ų068.1 Ų68.10%036%0.358CS..Hα-helixtrans-56.1-54.3173.7-68.3165.2000110.2Y542 T591 D592 Q593 S598 I599 I600 P856 V861Y542-I596 HydrophobicContact CD2-CB 4.45Å; Y542-I596 HydrophobicContact CD2-CG1 4.38Å; Y542-I596 HydrophobicContact CD2-CG2 4.09Å; Y542-I596 HydrophobicContact CE1-CG1 4.48Å; Y542-I596 HydrophobicContact CE2-CB 4.39Å; Y542-I596 HydrophobicContact CE2-CG1 3.94Å; Y542-I596 HydrophobicContact CE2-CG2 4.48Å; Y542-I596 HydrophobicContact CG-CG2 4.3Å; T591-I596 WeakPolarHBondContact O-CD1 3.43Å; D592-I596 WeakPolarHBondContact O-CG1 3.41Å; D592-I596 PolarHBondContact O-N 3.11Å; Q593-I596 PolarHBondContact O-N 3.47Å; I596-S598 VanDerWaalsContact C-N 3.32Å; I596-S598 PolarHBondContact O-N 2.74Å; I596-I599 PolarHBondContact O-N 3.46Å; I596-I600 HydrophobicContact CG2-CD1 3.85Å; I596-I600 WeakPolarHBondContact O-CG1 3.45Å; I596-I600 PolarHBondContact O-N 3Å; I596-I600 VanDerWaalsContact O-N 3.17Å; I596-P856 HydrophobicContact CG2-CB 4.25Å; I596-P856 HydrophobicContact CG2-CG 3.78Å; I596-V861 HydrophobicContact CD1-CB 4.41Å; I596-V861 HydrophobicContact CD1-CG2 3.72Å
597N91.8Very high85Confident60 Ų6072.7 Ų72.732%0.32138%0.379SS..Hα-helixtrans-62.7-38.9-178.9-69.118.3000111.6Q593 N601Q593-N597 PolarHBondContact NE2-OD1 2.93Å; Q593-N597 WeakPolarHBondContact O-CB 3.31Å; Q593-N597 VanDerWaalsContact O-CG 3.26Å; Q593-N597 PolarHBondContact O-N 3.35Å; Q593-N597 PolarHBondContact O-OD1 3.4Å; N597-N601 VanDerWaalsContact O-CB 3.3Å; N597-N601 WeakPolarHBondContact O-CB 3.5Å; N597-N601 PolarHBondContact O-N 3.43Å; N597-N601 PolarHBondContact O-ND2 2.82Å
598S93Very high82.2Confident77 Ų7777 Ų7754%0.53841%0.406SS..Hα-helixtrans-62.2-42.6176.7-175.50000112.4P594 T595 I596 K602P594-S598 WeakPolarHBondContact O-CB 3.47Å; P594-S598 PolarHBondContact O-N 3.32Å; T595-S598 PolarHBondContact O-N 2.81Å; I596-S598 VanDerWaalsContact C-N 3.32Å; I596-S598 PolarHBondContact O-N 2.74Å; S598-K602 VanDerWaalsContact O-CB 3.3Å; S598-K602 WeakPolarHBondContact O-CB 3.44Å; S598-K602 PolarHBondContact O-N 3.13Å
599I92.1Very high79.3Confident40 Ų4075.2 Ų75.221%0.20540%0.404CS..Hα-helixtrans-64.3-44.6179.3-73.8164.5000111.4P538 W539 Y542 T595 I596 K602 Q603P538-I599 HydrophobicContact CB-CD1 3.95Å; P538-I599 HydrophobicContact CB-CG2 4.31Å; W539-I599 HydrophobicContact CB-CG2 3.77Å; Y542-I599 HydrophobicContact CD2-CB 4.38Å; Y542-I599 HydrophobicContact CD2-CG2 4.02Å; Y542-I599 HydrophobicContact CE2-CB 4.49Å; Y542-I599 HydrophobicContact CE2-CD1 3.92Å; Y542-I599 HydrophobicContact CE2-CG2 4.31Å; T595-I599 HydrophobicContact CG2-CD1 3.68Å; T595-I599 HydrophobicContact CG2-CG1 4.41Å; T595-I599 WeakPolarHBondContact O-CB 3.35Å; T595-I599 WeakPolarHBondContact O-CD1 3.39Å; T595-I599 VanDerWaalsContact O-CG1 3.26Å; T595-I599 WeakPolarHBondContact O-CG1 3.33Å; T595-I599 PolarHBondContact O-N 3.25Å; I596-I599 PolarHBondContact O-N 3.46Å; I599-K602 PolarHBondContact O-N 3.11Å; I599-Q603 PolarHBondContact O-N 3.25Å; I599-Q603 VanDerWaalsContact O-N 3.1Å
600I87.3Confident76.2Confident28 Ų2878.5 Ų78.514%0.14444%0.439CS..Hα-helixtrans-67.7-49.9-179.6-60.1163.5000110.7I596 K602 Q603 M604 P856I596-I600 HydrophobicContact CG2-CD1 3.85Å; I596-I600 WeakPolarHBondContact O-CG1 3.45Å; I596-I600 PolarHBondContact O-N 3Å; I596-I600 VanDerWaalsContact O-N 3.17Å; I600-K602 PolarHBondContact O-N 3.44Å; I600-Q603 PolarHBondContact O-N 2.95Å; I600-M604 HydrophobicContact CG2-CE 3.95Å; I600-M604 HydrophobicContact CG2-CG 4.42Å; I600-M604 HydrophobicContact CG2-SD 4.27Å; I600-M604 PolarHBondContact O-N 3.49Å; I600-P856 HydrophobicContact CD1-CG 3.27Å
601N86.1Confident73.4Confident96 Ų9684.3 Ų84.351%0.51346%0.462SS..Hα-helixtrans-62.2-27.9178.7-78.6-60.3000113N597 K605N597-N601 VanDerWaalsContact O-CB 3.3Å; N597-N601 WeakPolarHBondContact O-CB 3.5Å; N597-N601 PolarHBondContact O-N 3.43Å; N597-N601 PolarHBondContact O-ND2 2.82Å; N601-K605 WeakPolarHBondContact O-CG 3.44Å
602K85.7Confident70.9Confident141 Ų14188.1 Ų88.161%0.61348%0.48SS*.Hα-helixtrans-71.2-43.8170.8-171.6177.5-179.4-177.40111.4S598 I599 I600 K605 F606S598-K602 VanDerWaalsContact O-CB 3.3Å; S598-K602 WeakPolarHBondContact O-CB 3.44Å; S598-K602 PolarHBondContact O-N 3.13Å; I599-K602 PolarHBondContact O-N 3.11Å; I600-K602 PolarHBondContact O-N 3.44Å; K602-K605 PolarHBondContact O-N 2.78Å; K602-F606 HydrophobicContact CG-CE2 4.48Å; K602-F606 WeakPolarHBondContact O-CD2 3.26Å
603Q77Confident68Low50 Ų5089.5 Ų89.523%0.23449%0.49CS..Hα-helixtrans-73.5-36.9-175.4-163.468.1-1.800113.4W539 I599 I600 K605 F606 Q607W539-Q603 HydrophobicContact CB-CB 4.2Å; W539-Q603 HydrophobicContact CB-CG 4.06Å; W539-Q603 HydrophobicContact CD2-CG 4.08Å; W539-Q603 HydrophobicContact CE3-CG 3.9Å; W539-Q603 HydrophobicContact CG-CG 4.17Å; I599-Q603 PolarHBondContact O-N 3.25Å; I599-Q603 VanDerWaalsContact O-N 3.1Å; I600-Q603 PolarHBondContact O-N 2.95Å; Q603-K605 PolarHBondContact O-N 3.42Å; Q603-F606 PolarHBondContact O-N 2.84Å; Q603-Q607 PolarHBondContact O-N 2.96Å; Q603-Q607 VanDerWaalsContact O-N 3.1Å
604M65.7Low65.6Low114 Ų11489.9 Ų89.956%0.56249%0.493SS*.Hα-helixtrans-57.4-35.1174.4-74.5-176.9168.800112.2I600 F606 Q607I600-M604 HydrophobicContact CG2-CE 3.95Å; I600-M604 HydrophobicContact CG2-CG 4.42Å; I600-M604 HydrophobicContact CG2-SD 4.27Å; I600-M604 PolarHBondContact O-N 3.49Å; M604-F606 VanDerWaalsContact C-N 3.27Å; M604-F606 PolarHBondContact O-N 3.49Å; M604-Q607 PolarHBondContact O-N 3.28Å
605K61.9Low62.4Low172 Ų17293.3 Ų93.375%0.74850%0.501SS*.Hα-helixtrans-68.2-22.1175.9-69.5178.9179.6-177.80114N601 K602 Q603N601-K605 WeakPolarHBondContact O-CG 3.44Å; K602-K605 PolarHBondContact O-N 2.78Å; Q603-K605 PolarHBondContact O-N 3.42Å
606F59.1Low59.3Low136 Ų13695 Ų9560%0.59651%0.514SS*.Hα-helixtrans-87-37.8173.6-80.6-80.9000112.5K602 Q603 M604 C608 S609K602-F606 HydrophobicContact CG-CE2 4.48Å; K602-F606 WeakPolarHBondContact O-CD2 3.26Å; Q603-F606 PolarHBondContact O-N 2.84Å; M604-F606 VanDerWaalsContact C-N 3.27Å; M604-F606 PolarHBondContact O-N 3.49Å; F606-C608 PolarHBondContact O-N 3.21Å; F606-S609 PolarHBondContact O-N 3.03Å
607Q50.1Low56.2Low97 Ų97101 Ų10145%0.45355%0.551SS.*Hα-helixtrans-65.9-19-175.7-75-178.2-1800114.8Q603 M604 S609Q603-Q607 PolarHBondContact O-N 2.96Å; Q603-Q607 VanDerWaalsContact O-N 3.1Å; M604-Q607 PolarHBondContact O-N 3.28Å; Q607-S609 PolarHBondContact O-N 3.38Å
608C37Very low53.1Low120 Ų120103.9 Ų103.981%0.81157%0.571SS**THydrogen-bonded Turntrans-69-7.2169.4-66.30000113.9F606F606-C608 PolarHBondContact O-N 3.21Å
609S32.6Very low50Low92 Ų92106 Ų10664%0.64358%0.581SS**SBendtrans-107.3121.3162.4-65.80000108.6F606 Q607F606-S609 PolarHBondContact O-N 3.03Å; Q607-S609 PolarHBondContact O-N 3.38Å
610G27.5Very low47Very low73 Ų73109.7 Ų109.775%0.75361%0.605SS**  trans-66.7162.2-165.500000115.7
611H34.4Very low44.1Very low163 Ų163114.2 Ų114.276%0.75564%0.636SS**  trans82.3108.7177.4-146.7-84.4000116.3T613H611-T613 VanDerWaalsContact C-N 3.3Å; H611-T613 PolarHBondContact ND1-OG1 2.95Å; H611-T613 PolarHBondContact O-N 3.36Å
612I39.3Very low41.3Very low118 Ų118115.5 Ų115.561%0.60565%0.648SS**  trans-78.581.7168.8-56.1178.2000108.5
613T33Very low38.5Very low94 Ų94114.5 Ų114.558%0.57766%0.658SS**  trans-82.6113.2169.7-52.20000109H611 E615H611-T613 VanDerWaalsContact C-N 3.3Å; H611-T613 PolarHBondContact ND1-OG1 2.95Å; H611-T613 PolarHBondContact O-N 3.36Å; T613-E615 HydrophobicContact CG2-CG 4.46Å; T613-E615 PolarHBondContact O-N 3Å
614M43.1Very low36.2Very low68 Ų68118.4 Ų118.434%0.33569%0.686SS.*  trans-78.187.1173-73.6-162.115500110.6A534 W539 S616A534-M614 HydrophobicContact CB-CE 3.86Å; A534-M614 HydrophobicContact CB-SD 3.57Å; A534-M614 VanDerWaalsContact CB-SD 3.57Å; W539-M614 HydrophobicContact CH2-CE 4.36Å; W539-M614 HydrophobicContact CZ2-CE 4.29Å; M614-S616 PolarHBondContact O-N 3.07Å
615E28.1Very low34.6Very low170 Ų170119 Ų11979%0.79470%0.702SS**  trans-59.9131.4176.8-66.8-164.9130.900111.7T613 T617T613-E615 HydrophobicContact CG2-CG 4.46Å; T613-E615 PolarHBondContact O-N 3Å; E615-T617 PolarHBondContact O-N 3.43Å
616S28.5Very low33Very low86 Ų86116.4 Ų116.460%0.60171%0.705SS**  trans-87.797-173.6-68.80000111.8M614 T618M614-S616 PolarHBondContact O-N 3.07Å; S616-T618 VanDerWaalsContact C-N 3.27Å; S616-T618 PolarHBondContact O-N 2.72Å; S616-T618 PolarHBondContact O-OG1 2.99Å
617T26.8Very low31.7Very low127 Ų127121.7 Ų121.778%0.77972%0.721SS**  trans-66.579.6175.8-390000112.2E615 T619E615-T617 PolarHBondContact O-N 3.43Å; T617-T619 HydrophobicContact CG2-CG2 4.34Å
618T27.1Very low30.8Very low119 Ų119121.2 Ų121.273%0.7373%0.734SS**  trans-101.175.1177-50.30000109.8S616 V620S616-T618 VanDerWaalsContact C-N 3.27Å; S616-T618 PolarHBondContact O-N 2.72Å; S616-T618 PolarHBondContact O-OG1 2.99Å; T618-V620 PolarHBondContact O-N 3.49Å
619T28.6Very low30.5Very low123 Ų123120.6 Ų120.676%0.75573%0.73SS**  trans-76.9105.3177.538.40000111.5T617T617-T619 HydrophobicContact CG2-CG2 4.34Å
620V27.6Very low30.4Very low116 Ų116121.2 Ų121.270%0.70374%0.735SS**  trans-84.6118.7163.1-177.70000108.1T618 T622T618-V620 PolarHBondContact O-N 3.49Å; V620-T622 PolarHBondContact O-N 3.15Å; V620-T622 VanDerWaalsContact O-N 3.11Å
621P26.4Very low30.5Very low124 Ų124125 Ų12581%0.80574%0.738SS**  trans-75.8102.3-177.530-33.5000110.6
622T28.8Very low30.4Very low123 Ų123122.7 Ų122.776%0.75574%0.74SS**  trans-91.6117.7171.9-51.30000109.3V620 T624V620-T622 PolarHBondContact O-N 3.15Å; V620-T622 VanDerWaalsContact O-N 3.11Å; T622-T624 PolarHBondContact O-N 3.21Å
623S25.8Very low29.9Very low119 Ų119121.2 Ų121.283%0.83275%0.754SS**  trans-91.7100.6-173.841.90000112.8
624T28.1Very low29.7Very low132 Ų132120.5 Ų120.581%0.8177%0.765SS**  trans-133.8107.9164.546.90000110.8T622T622-T624 PolarHBondContact O-N 3.21Å
625S33.4Very low29.2Very low128 Ų128124.5 Ų124.590%0.89579%0.786SS**  trans-93.6128.8170.3-171.50000109.4
626S28.1Very low29.3Very low116 Ų116125.2 Ų125.281%0.81179%0.787SS**  trans-101.2136.9-176.757.30000111.8
627R32.2Very low29.3Very low247 Ų247130.3 Ų130.393%0.93280%0.798SS**  trans-147.2127.6163.4-167.6166.6177.4162.9-0.4110.6
628A30.1Very low29.4Very low88 Ų88128.8 Ų128.873%0.72779%0.793SS**  trans-76.1168.9173.400000110.3
629S29.9Very low29.6Very low106 Ų106129.4 Ų129.474%0.74180%0.796SS**  cis-168172.928.853.80000113.4
630S30.8Very low29.7Very low106 Ų106130.1 Ų130.174%0.74180%0.795SS**  trans93.4125.9151.176.90000121.7
631N30.5Very low29.9Very low152 Ų152130 Ų13081%0.81380%0.795SS**  trans79.4119144.9-716.9000125.4
632S31.8Very low30.1Very low114 Ų114128.2 Ų128.280%0.79779%0.785SS**  trans70.5100.8135.964.90000122.7
633G28.1Very low30Very low87 Ų87129.6 Ų129.690%0.89779%0.793SS**  86.9151.9120.800000119.4
634G30.2Very low30.2Very low79 Ų79129.3 Ų129.381%0.81479%0.79SS**  trans121.355.8161.800000119.2
635I31.1Very low30.1Very low152 Ų152132.2 Ų132.278%0.77979%0.792SS**  trans-3.8133.9153.7-65.6173.6000119.2
636K30.4Very low30Very low185 Ų185132.3 Ų132.380%0.80479%0.789SS**  trans93.7122.9153.4-84.6163-171.31720121.9
637K30.4Very low29.9Very low193 Ų193134.7 Ų134.784%0.83979%0.792SS**  trans68.3147.8150.2-68-173.2176.2-169.80117.6
638S27.8Very low29.7Very low96 Ų96127.8 Ų127.867%0.67178%0.779SS**  cis-174.2167-17.947.50000108.9
639V32.1Very low29.6Very low132 Ų132131 Ų13180%0.878%0.782SS**  trans74.6134.7176.7-171.40000113.9
640D29.1Very low29.4Very low137 Ų137130.5 Ų130.573%0.73378%0.779SS**  cis-157.7-157.6-45-124.4-103.3000106.9
641T32.1Very low29.3Very low115 Ų115132.4 Ų132.471%0.70678%0.776SS**  cis-157.3154.116-27.40000111.7
642S30.5Very low29.3Very low85 Ų85130.8 Ų130.859%0.59477%0.766SS**  trans44.5114.7151.363.90000122.2
643V28.2Very low29.2Very low152 Ų152131 Ų13192%0.92177%0.768SS**  trans-125.6118.1131.5173.80000107.2
644C29.1Very low29.3Very low114 Ų114134.1 Ų134.177%0.7776%0.757SS**PPolyproline II helixtrans-94.2132.9-171.6-66.50000113.2
645K26Very low29.4Very low193 Ų193135.6 Ų135.684%0.83976%0.755SS**PPolyproline II helixtrans-100.3140.1153-68.9-179.5178179.90108.3
646P31.2Very low29.4Very low130 Ų130133.6 Ų133.684%0.84475%0.754SS**PPolyproline II helixtrans-67.6148.7170.5-18.932.7000112.3
647L25.8Very low29.5Very low166 Ų166129.4 Ų129.487%0.86975%0.748SS**  trans-125.4161173.7-82.1168.1000110.3
648P28.8Very low29.6Very low102 Ų102126.5 Ų126.566%0.66275%0.747SS**  trans-99.5147.9-169.136.9-34.7000116.5
649I26.7Very low29.8Very low155 Ų155127 Ų12780%0.79575%0.75SS**  trans77.8112.6136.8-67.1169.6000121.6
650S27Very low29.8Very low96 Ų96126.9 Ų126.967%0.67175%0.75SS**  trans46.7132.5142.975.20000125.5
651E29Very low29.6Very low146 Ų146125.8 Ų125.868%0.68275%0.752SS**  -166.6138.4105.2-90.5-140.1115.800107.8K654E651-K654 IonicContact OE1-NZ 2.7Å; E651-K654 PolarHBondContact OE1-NZ 3.37Å; E651-K654 IonicContact OE2-NZ 3.62Å
652I30.2Very low29.7Very low118 Ų118128.7 Ų128.761%0.60576%0.762SS**  cis95.8133.748-70.4174.8000114.4K654I652-K654 HydrophobicContact CG2-CD 3.75Å; I652-K654 HydrophobicContact CG2-CG 3.76Å
653S28.9Very low29.6Very low118 Ų118130.2 Ų130.283%0.82577%0.773SS**  trans-134.9162.9159.663.80000110.1
654K30.7Very low29.8Very low153 Ų153126.8 Ų126.867%0.66577%0.768SS**  trans-145.9100.3-155.8-71.9140169.61420114E651 I652E651-K654 IonicContact OE1-NZ 2.7Å; E651-K654 PolarHBondContact OE1-NZ 3.37Å; E651-K654 IonicContact OE2-NZ 3.62Å; I652-K654 HydrophobicContact CG2-CD 3.75Å; I652-K654 HydrophobicContact CG2-CG 3.76Å
655S31.7Very low29.8Very low110 Ų110130.4 Ų130.477%0.76977%0.774SS**  trans-158103.9164.558.90000112
656S32.6Very low29.9Very low109 Ų109126.3 Ų126.376%0.76277%0.769SS**  89.1139.763.5720000113
657S32.6Very low29.9Very low98 Ų98125.5 Ų125.569%0.68577%0.766SS**  cis-158149.728.2-460000115.2
658T31.6Very low30.2Very low132 Ų132123.5 Ų123.581%0.8176%0.761SS**  trans40.4114.214748.70000121.8
659S31.6Very low30.1Very low105 Ų105128.7 Ų128.773%0.73477%0.769SS**  96.1160.978.7-131.70000113
660T32.1Very low30.5Very low131 Ų131129.1 Ų129.180%0.80477%0.767SS**  cis-146.1-152.717.6-30.90000111.9
661C26.2Very low30.8Very low114 Ų114130.6 Ų130.677%0.7777%0.767SS**  trans-136.4161.1-166.6-42.40000115
662L32.9Very low30.9Very low176 Ų176130.1 Ų130.192%0.92177%0.77SS**  trans-173.4177.2141.2-104.6168.3000112.7
663S29.7Very low31.1Very low117 Ų117130.6 Ų130.682%0.81877%0.773SS**  trans-131158.6-156.1550000116.8
664G30.9Very low31.3Very low80 Ų80131.7 Ų131.783%0.82577%0.77SS**  trans-172.8155.5170.700000114.6
665E29.7Very low31.5Very low190 Ų190130.9 Ų130.989%0.88877%0.773SS**  trans-106.2153-160.6-58.4175.6116.700117.1
666S28Very low31.7Very low107 Ų107132.1 Ų132.175%0.74877%0.771SS**  trans60.3127.6137.7-64.90000125.2
667S31.2Very low31.8Very low112 Ų112132.4 Ų132.478%0.78377%0.768SS**  trans112.4125.8130.476.90000122.7
668V32.1Very low31.7Very low125 Ų125134.6 Ų134.676%0.75877%0.772SS**  trans68.1104.8137.6174.60000121.9
669Y26.8Very low31.6Very low210 Ų210133.2 Ų133.282%0.82477%0.768SS**  trans25.7121.8146.5-60.6-84.9000123.1
670H34.9Very low31.4Very low165 Ų165133 Ų13376%0.76477%0.766SS**  -174.9144.2103.7-108.2-71000115.1
671N34.4Very low31.2Very low126 Ų126134 Ų13467%0.67477%0.767SS**  trans57120151.6-59.7-4.7000122.9
672N29.5Very low31.3Very low136 Ų136135.6 Ų135.673%0.72777%0.772SS**  29.9135.8112.1-71.763.2000119.5
673D34.6Very low31Very low128 Ų128133.5 Ų133.568%0.68476%0.762SS**  cis-150.8171.220.8-79.3-49000112.5
674N34Very low30.9Very low142 Ų142134.9 Ų134.976%0.75976%0.76SS**  trans35.9127.7156.1-57.2-15.6000119.6
675D35.4Very low30.7Very low135 Ų135136.1 Ų136.172%0.72276%0.756SS**  -170146.158.3-122.4-44.8000114.7
676N34.5Very low30.5Very low137 Ų137132.2 Ų132.273%0.73375%0.75SS**  trans34.7128.9149.4-83.1-62.4000126.1
677V34.7Very low30.6Very low115 Ų115133.6 Ų133.670%0.69775%0.749SS**  trans87.3103.8135.4177.90000121.8
678D30.7Very low30.3Very low144 Ų144135.7 Ų135.777%0.7776%0.756SS**  trans62.3127.7137.2-68.6-26.6000126.2
679S30.4Very low30.1Very low103 Ų103136.5 Ų136.572%0.7275%0.752SS**  trans89.496.3134.267.50000121.3
680S26.7Very low30.2Very low101 Ų101129.1 Ų129.171%0.70673%0.731SS**  trans49.5108.4133.559.60000120.7
681N26.9Very low29.7Very low152 Ų152130.4 Ų130.481%0.81374%0.739SS**  173.8121.9112.4-88.1-18.3000112.7
682V29.7Very low29.4Very low146 Ų146130.9 Ų130.989%0.88574%0.742SS**  trans-151.2116.8147-1790000109.4
683D27.2Very low29.3Very low132 Ų132129.6 Ų129.671%0.70673%0.731SS**  trans-89.4143.3159.1-69.3-64.5000109.9
684N27.4Very low28.9Very low146 Ų146129.4 Ų129.478%0.78174%0.735SS**  174.5143.2102.8-98.8-70.4000116.8
685S26.4Very low28.6Very low106 Ų106127.6 Ų127.674%0.74173%0.733SS**  trans20.9126.6147.368.90000121.9
686S25.9Very low28.1Very low108 Ų108124 Ų12476%0.75572%0.718SS**  -153.5172.3116.166.20000110.9
687L28.7Very low27.8Very low137 Ų137126.1 Ų126.172%0.71772%0.716SS**  trans61.388.7173.6-64.3170.3000117.1E689L687-E689 PolarHBondContact O-N 2.85Å
688V24.9Very low27.4Very low155 Ų155127.9 Ų127.994%0.93972%0.721SS**  trans-69.1108.2148.2173.20000107.7
689E28Very low27.3Very low143 Ų143124.5 Ų124.567%0.66871%0.708SS**  trans-148.3124.4175.1-142.8165.8-136.200113.8L687L687-E689 PolarHBondContact O-N 2.85Å
690S28.7Very low27Very low55 Ų55126.7 Ų126.739%0.38571%0.707SS.*  trans37.298.4164.9590000119.1D692 Q693S690-D692 PolarHBondContact O-N 3.48Å; S690-Q693 PolarHBondContact OG-NE2 3.31Å; S690-Q693 VanDerWaalsContact OG-NE2 3.09Å
691M25.8Very low27.1Very low191 Ų191129.2 Ų129.294%0.94171%0.712SS**THydrogen-bonded Turntrans-75.136.8163.9-164.6159.461.200112.8
692D26.6Very low27Very low137 Ų137131.1 Ų131.173%0.73371%0.713SS**THydrogen-bonded Turntrans-122.2-15.9-179-80.2-63.2000113S690 V694S690-D692 PolarHBondContact O-N 3.48Å; D692-V694 PolarHBondContact O-N 2.88Å
693Q27.1Very low26.9Very low108 Ų108129.7 Ų129.751%0.50571%0.705SS.*THydrogen-bonded Turntrans-83.9-2.1-175.2-65.2-166.537.700115.3S690 S696S690-Q693 PolarHBondContact OG-NE2 3.31Å; S690-Q693 VanDerWaalsContact OG-NE2 3.09Å; Q693-S696 PolarHBondContact O-OG 2.87Å; Q693-S696 VanDerWaalsContact O-OG 3.11Å
694V28.1Very low26.9Very low124 Ų124130.2 Ų130.275%0.75271%0.712SS**THydrogen-bonded Turntrans-78.2-24.3176-177.80000111.6D692D692-V694 PolarHBondContact O-N 2.88Å
695S26.8Very low26.8Very low105 Ų105126.4 Ų126.473%0.73471%0.707SS**THydrogen-bonded Turntrans-81.8-19.2-179.5-156.10000113.7
696S25.5Very low26.7Very low58 Ų58130.6 Ų130.641%0.40671%0.712SS.*THydrogen-bonded Turntrans-84.9-29.4-177.452.60000113.9Q693 S699Q693-S696 PolarHBondContact O-OG 2.87Å; Q693-S696 VanDerWaalsContact O-OG 3.11Å; S696-S699 VanDerWaalsContact O-CB 3.32Å; S696-S699 WeakPolarHBondContact O-CB 3.43Å; S696-S699 PolarHBondContact O-N 3.3Å; S696-S699 PolarHBondContact O-OG 3.31Å
697R26.8Very low26.9Very low182 Ų182131.4 Ų131.469%0.68772%0.715SS**THydrogen-bonded Turntrans-80.8-12.6-177.1-72.6-171.4173.7-176.11115.7S699R697-S699 PolarHBondContact O-N 2.97Å
698L27.6Very low27.2Very low153 Ų153129.6 Ų129.680%0.80171%0.714SS**THydrogen-bonded Turntrans-73-13.7166.4-100.173.8000112.8
699S27.3Very low27.7Very low72 Ų72126 Ų12650%0.50369%0.69SS.*THydrogen-bonded Turntrans-78.5-35.2177.5-22.90000112.8S696 R697 L701 K702S696-S699 VanDerWaalsContact O-CB 3.32Å; S696-S699 WeakPolarHBondContact O-CB 3.43Å; S696-S699 PolarHBondContact O-N 3.3Å; S696-S699 PolarHBondContact O-OG 3.31Å; R697-S699 PolarHBondContact O-N 2.97Å; S699-L701 PolarHBondContact O-N 3.24Å; S699-K702 WeakPolarHBondContact O-CB 3.41Å; S699-K702 PolarHBondContact O-N 3Å
700E25.7Very low29Very low149 Ų149122.3 Ų122.370%0.69668%0.679SS**THydrogen-bonded Turntrans-85.9-7.9-165.2-63.8-175.8130.200114K702E700-K702 PolarHBondContact O-N 2.63Å
701L28.5Very low30.3Very low155 Ų155121.1 Ų121.181%0.81267%0.668SS**THydrogen-bonded Turntrans-80.53.2165.4-81.6166.4000113.5S699 V703S699-L701 PolarHBondContact O-N 3.24Å; L701-V703 PolarHBondContact O-N 3.41Å
702K25.3Very low32.2Very low191 Ų191112.5 Ų112.583%0.8363%0.626SS**  trans-77.868.7159.9-73.9-171.5171.5-176.20110.7S699 E700 V704S699-K702 WeakPolarHBondContact O-CB 3.41Å; S699-K702 PolarHBondContact O-N 3Å; E700-K702 PolarHBondContact O-N 2.63Å; K702-V704 PolarHBondContact O-N 3.47Å
703V26.6Very low33.7Very low116 Ų116106.5 Ų106.570%0.70360%0.596SS**  trans-6997.2173.7179.60000109.9L701 G705L701-V703 PolarHBondContact O-N 3.41Å; V703-G705 PolarHBondContact O-N 2.91Å
704V26.4Very low35.7Very low143 Ų143102.3 Ų102.387%0.86758%0.578SS**SBendtrans42.550.6153-157.90000116K702K702-V704 PolarHBondContact O-N 3.47Å
705G26Very low37.2Very low66 Ų6698.1 Ų98.168%0.6855%0.551SS**  trans-94.4133.7144.400000108.9V703V703-G705 PolarHBondContact O-N 2.91Å
706K25.4Very low38.6Very low194 Ų19493.7 Ų93.784%0.84352%0.521SS*.  trans-57.8156.7155-76-178.5177.5177.80108.1S708K706-S708 VanDerWaalsContact C-N 3.29Å; K706-S708 PolarHBondContact O-N 3.49Å
707P30.1Very low40.6Very low125 Ų12598.5 Ų98.581%0.81254%0.542SS*.  trans-58.2103.9153.928.1-31.8000106.6D709P707-D709 PolarHBondContact O-N 2.83Å
708S34.1Very low42.4Very low99 Ų9991.7 Ų91.769%0.69252%0.521SS*.  trans-66.8125.2168.351.10000107.1K706 S710K706-S708 VanDerWaalsContact C-N 3.29Å; K706-S708 PolarHBondContact O-N 3.49Å; S708-S710 PolarHBondContact O-N 3.38Å
709D36.2Very low44Very low81 Ų8185 Ų8543%0.43349%0.487SS..  trans-39.1117.6165.8-55.9-4000107.9P707 I711 R963P707-D709 PolarHBondContact O-N 2.83Å; D709-I711 VanDerWaalsContact C-N 3.34Å; D709-I711 WeakPolarHBondContact O-CG1 3.35Å; D709-I711 PolarHBondContact O-N 3.36Å; D709-R963 HydrophobicContact CB-CB 4.18Å; D709-R963 HydrophobicContact CB-CG 4Å; D709-R963 WeakPolarHBondContact OD2-CD 3.46Å; D709-R963 IonicContact OD2-CZ 2.73Å; D709-R963 IonicContact OD2-NE 3.34Å; D709-R963 IonicContact OD2-NH1 3.11Å; D709-R963 PolarHBondContact OD2-NH1 3.32Å
710S55Low45.9Very low65 Ų6584.6 Ų84.646%0.45548%0.482SS..  trans-8385.6-16259.50000109.8S708 I964S708-S710 PolarHBondContact O-N 3.38Å; S710-I964 WeakPolarHBondContact CA-O 3.24Å; S710-I964 WeakPolarHBondContact CB-O 3.46Å; S710-I964 PolarHBondContact N-O 2.8Å; S710-I964 VanDerWaalsContact O-CB 3.3Å; S710-I964 WeakPolarHBondContact O-CB 3.24Å; S710-I964 WeakPolarHBondContact O-CG1 3.35Å; S710-I964 PolarHBondContact O-N 3.21Å; S710-I964 WeakPolarHBondContact OG-CB 3.47Å; S710-I964 PolarHBondContact OG-O 2.88Å
711I54.6Low47.9Very low29 Ų2978.6 Ų78.615%0.14946%0.455CS..EExtended strand (participates in β ladder)trans-74.3130.4-167.1-73.5160.2000111.5D709 L943 Y952 I961 Q962 R963D709-I711 VanDerWaalsContact C-N 3.34Å; D709-I711 WeakPolarHBondContact O-CG1 3.35Å; D709-I711 PolarHBondContact O-N 3.36Å; I711-L943 HydrophobicContact CB-CD2 4.33Å; I711-L943 HydrophobicContact CG2-CD2 3.86Å; I711-L943 VanDerWaalsContact O-CD2 3.22Å; I711-L943 WeakPolarHBondContact O-CD2 3.34Å; I711-Y952 HydrophobicContact CD1-CE2 3.59Å; I711-Y952 VanDerWaalsContact CD1-OH 3.28Å; I711-Y952 WeakPolarHBondContact CD1-OH 3.32Å; I711-I961 HydrophobicContact CG2-CG2 3.46Å; I711-I961 VanDerWaalsContact CG2-CG2 3.46Å; I711-Q962 CarbonylContact C-O 3.49Å; I711-Q962 WeakPolarHBondContact CA-O 3.16Å; I711-R963 HydrophobicContact CD1-CG 4.1Å; I711-R963 HydrophobicContact CG1-CB 4.45Å; I711-R963 HydrophobicContact CG1-CG 3.65Å
712Q65.9Low49.9Very low10 Ų1077.2 Ų77.25%0.04744%0.444CS..EExtended strand (participates in β ladder)trans-117.3132.2172.5173.1165.318.200110Q435 Q962 I964Q435-Q712 PolarHBondContact O-NE2 2.85Å; Q435-Q712 PolarHBondContact O-OE1 2.81Å; Q712-Q962 PolarHBondContact N-O 3.48Å; Q712-Q962 PolarHBondContact O-N 3.41Å; Q712-I964 HydrophobicContact CB-CD1 3.86Å
713A59.7Low52.2Low12 Ų1274 Ų7410%0.09943%0.43CS..EExtended strand (participates in β ladder)trans-74.5135.3163.700000110F959 E960A713-F959 HydrophobicContact CB-CD2 3.5Å; A713-F959 VanDerWaalsContact CB-CD2 3.5Å; A713-F959 HydrophobicContact CB-CE2 3.72Å; A713-F959 HydrophobicContact CB-CG 4.12Å; A713-E960 CarbonylContact C-O 3.06Å; A713-E960 WeakPolarHBondContact CA-O 3.27Å
714S67.8Low54.4Low19 Ų1968.5 Ų68.513%0.13340%0.396CS..  trans-69.1154.9171.279.10000111.1F959 E960S714-F959 WeakPolarHBondContact O-CB 3.25Å; S714-E960 PolarHBondContact N-O 3.46Å; S714-E960 WeakPolarHBondContact OG-CB 3.41Å; S714-E960 PolarHBondContact OG-N 2.93Å
715L59.5Low56.3Low36 Ų3662.3 Ų62.319%0.18836%0.359CS..  trans-110.4145.6177.9-69.3168.1000108.7I438 W932 Y936I438-L715 HydrophobicContact CG2-CD1 3.73Å; L715-W932 HydrophobicContact CD1-CZ2 4.32Å; L715-W932 HydrophobicContact CD2-CZ2 4.23Å; L715-Y936 HydrophobicContact CD2-CD2 3.91Å; L715-Y936 HydrophobicContact CD2-CG 4.27Å
716A57.2Low57.7Low13 Ų1360.7 Ų60.711%0.10734%0.342CS..PPolyproline II helixtrans-59.7159.7165.200000110.7V718 I931A716-V718 PolarHBondContact O-N 2.93Å; A716-I931 HydrophobicContact CB-CG2 4.4Å
717D67.3Low58.6Low158 Ų15860.6 Ų60.685%0.84534%0.342SS*.PPolyproline II helixtrans-64.6130.2173.1-86.5-35.6000111.3
718V63.4Low59Low39 Ų3961.2 Ų61.224%0.23633%0.328CS..PPolyproline II helixtrans-73.4129.1178.6170.30000109.3F446 A716 M724 W932F446-V718 HydrophobicContact CE1-CG1 4.43Å; F446-V718 HydrophobicContact CZ-CG1 3.79Å; A716-V718 PolarHBondContact O-N 2.93Å; V718-M724 HydrophobicContact CG1-SD 4.32Å; V718-W932 HydrophobicContact CG2-CD2 4.47Å; V718-W932 HydrophobicContact CG2-CG 4.23Å; V718-W932 VanDerWaalsContact CG2-NE1 3.31Å
719P62.2Low59Low14 Ų1464.4 Ų64.49%0.09134%0.336CS..PPolyproline II helixtrans-58.9137.1177.2-25.735.8000111.7K723 M724 G928P719-K723 HydrophobicContact CB-CB 4.26Å; P719-M724 HydrophobicContact CB-CG 3.98Å; P719-M724 HydrophobicContact CB-SD 4.38Å; P719-G928 VanDerWaalsContact CG-C 3.43Å
720P66.8Low58.6Low63 Ų6362.5 Ų62.541%0.40934%0.335SS..PPolyproline II helixtrans-61143.4175.426-35.4000110.4H722 K723P720-H722 VanDerWaalsContact CG-CE1 3.41Å; P720-H722 WeakPolarHBondContact CG-CE1 3.46Å; P720-H722 PolarHBondContact O-N 3.41Å; P720-K723 HydrophobicContact CG-CD 4.21Å; P720-K723 HydrophobicContact CG-CG 4.3Å; P720-K723 WeakPolarHBondContact O-CB 3.35Å; P720-K723 PolarHBondContact O-N 2.98Å
721L68.5Low57.3Low22 Ų2262.2 Ų62.212%0.11533%0.329CS..Hα-helixtrans-50.3-31.1-168.9-179.364.7000114.9L449 D504 T508 K723 M724 T725L449-L721 HydrophobicContact CD2-CD1 3.74Å; D504-L721 HydrophobicContact CB-CB 4.41Å; D504-L721 HydrophobicContact CB-CD2 3.77Å; D504-L721 WeakPolarHBondContact O-CD2 3.35Å; T508-L721 HydrophobicContact CG2-CD2 4.44Å; T508-L721 WeakPolarHBondContact OG1-CD2 3.3Å; L721-K723 PolarHBondContact O-N 2.97Å; L721-K723 VanDerWaalsContact O-N 3.17Å; L721-M724 HydrophobicContact CD1-CB 4.39Å; L721-M724 CarbonylContact O-C 3.5Å; L721-M724 WeakPolarHBondContact O-CA 3.33Å; L721-M724 PolarHBondContact O-N 3.45Å; L721-T725 HydrophobicContact CD1-CG2 3.57Å; L721-T725 HydrophobicContact CG-CG2 4.14Å; L721-T725 PolarHBondContact O-N 2.95Å; L721-T725 PolarHBondContact O-OG1 2.97Å
722H69.9Low56.2Low127 Ų12763 Ų6359%0.58834%0.34SS*.Hα-helixtrans-65.8-11.4176.673.6-105.8000114.7P720P720-H722 VanDerWaalsContact CG-CE1 3.41Å; P720-H722 WeakPolarHBondContact CG-CE1 3.46Å; P720-H722 PolarHBondContact O-N 3.41Å
723K73.1Confident54.6Low122 Ų12266.2 Ų66.253%0.5336%0.36SS..Hα-helixtrans-96.6-19.7168.4-60.7-174-176.6177.30112.7P719 P720 L721 N926P719-K723 HydrophobicContact CB-CB 4.26Å; P720-K723 HydrophobicContact CG-CD 4.21Å; P720-K723 HydrophobicContact CG-CG 4.3Å; P720-K723 WeakPolarHBondContact O-CB 3.35Å; P720-K723 PolarHBondContact O-N 2.98Å; L721-K723 PolarHBondContact O-N 2.97Å; L721-K723 VanDerWaalsContact O-N 3.17Å; K723-N926 WeakPolarHBondContact O-CB 3.46Å; K723-N926 PolarHBondContact O-ND2 2.87Å
724M72.4Confident53.1Low1 Ų173 Ų731%0.00539%0.39CS..Hα-helixtrans-98.3-1.2-179.4-53.9-174.467.700113.5F446 V718 P719 L721 Y923 Q924 T929F446-M724 HydrophobicContact CD1-CE 3.72Å; F446-M724 HydrophobicContact CD2-CE 4.16Å; F446-M724 HydrophobicContact CE1-CE 3.5Å; F446-M724 HydrophobicContact CE1-SD 4.04Å; F446-M724 HydrophobicContact CE2-CE 3.96Å; F446-M724 HydrophobicContact CG-CE 4.06Å; F446-M724 HydrophobicContact CZ-CE 3.64Å; F446-M724 HydrophobicContact CZ-SD 4.21Å; V718-M724 HydrophobicContact CG1-SD 4.32Å; P719-M724 HydrophobicContact CB-CG 3.98Å; P719-M724 HydrophobicContact CB-SD 4.38Å; L721-M724 HydrophobicContact CD1-CB 4.39Å; L721-M724 CarbonylContact O-C 3.5Å; L721-M724 WeakPolarHBondContact O-CA 3.33Å; L721-M724 PolarHBondContact O-N 3.45Å; M724-Y923 HydrophobicContact CB-CD2 4.35Å; M724-Y923 HydrophobicContact CB-CE2 4.22Å; M724-Y923 HydrophobicContact CE-CE2 3.89Å; M724-Y923 CarbonylContact O-C 3.6Å; M724-Y923 WeakPolarHBondContact O-CA 3.41Å; M724-Y923 WeakPolarHBondContact O-CD2 3.39Å; M724-Q924 PolarHBondContact O-N 3.11Å; M724-T929 HydrophobicContact CE-CG2 3.76Å
725T66.5Low51.4Low14 Ų1476.8 Ų76.89%0.08641%0.408CS..BIsolated β-bridgetrans-136.7154.9178.650.50000110L449 L721 K727 R921 K922L449-T725 HydrophobicContact CD1-CG2 4.32Å; L449-T725 HydrophobicContact CD2-CG2 4.22Å; L721-T725 HydrophobicContact CD1-CG2 3.57Å; L721-T725 HydrophobicContact CG-CG2 4.14Å; L721-T725 PolarHBondContact O-N 2.95Å; L721-T725 PolarHBondContact O-OG1 2.97Å; T725-K727 PolarHBondContact O-N 3.31Å; T725-R921 HydrophobicContact CG2-CB 4.35Å; T725-K922 WeakPolarHBondContact CA-O 3.5Å
726G55.6Low50.2Low31 Ų3178.7 Ų78.732%0.3242%0.418SS..  trans-54.8129.4-178.700000113.6R728 K922 Q924G726-R728 PolarHBondContact O-N 3.38Å; G726-K922 PolarHBondContact N-O 3.42Å; G726-Q924 VanDerWaalsContact CA-CD 3.43Å
727K44.4Very low48.9Very low192 Ų19286.9 Ų86.984%0.83545%0.454SS*.  trans-53.8112.7168.3-73.8-174.5179.9177.60108.7T725 L729T725-K727 PolarHBondContact O-N 3.31Å; K727-L729 PolarHBondContact O-N 3.4Å
728R38.8Very low47Very low139 Ų13989.6 Ų89.653%0.52545%0.453SS..  trans-29.3117.4-172.8-63.7170.2172.6178.3-6.5114.7G726 N731G726-R728 PolarHBondContact O-N 3.38Å; R728-N731 VanDerWaalsContact CD-OD1 3.22Å; R728-N731 WeakPolarHBondContact CD-OD1 3.1Å; R728-N731 PolarHBondContact NH1-OD1 3.28Å
729L33.3Very low45.6Very low166 Ų16694.2 Ų94.287%0.86947%0.47SS*.SBendtrans-68125.4133-87.278.4000106.1K727K727-L729 PolarHBondContact O-N 3.4Å
730G27.8Very low44Very low40 Ų4096.6 Ų96.641%0.41249%0.487SS..  trans83.465.2-174.200000113.3A732G730-A732 PolarHBondContact O-N 2.81Å
731N28.3Very low42.3Very low59 Ų5999.2 Ų99.232%0.31650%0.498SS..  trans-60.9126.9149.2-113.4-15.3000107.9R728 T733 Q734R728-N731 VanDerWaalsContact CD-OD1 3.22Å; R728-N731 WeakPolarHBondContact CD-OD1 3.1Å; R728-N731 PolarHBondContact NH1-OD1 3.28Å; N731-T733 PolarHBondContact O-N 2.61Å; N731-Q734 HydrophobicContact CB-CB 4.36Å; N731-Q734 HydrophobicContact CB-CG 4.44Å; N731-Q734 PolarHBondContact O-N 2.87Å
732A32.4Very low40.5Very low46 Ų46105.7 Ų105.738%0.3852%0.522SS..THydrogen-bonded Turntrans-72.536.117300000112.6G730 K867G730-A732 PolarHBondContact O-N 2.81Å; A732-K867 VanDerWaalsContact O-CD 3.28Å; A732-K867 WeakPolarHBondContact O-CD 3.26Å; A732-K867 WeakPolarHBondContact O-CE 3.23Å
733T32Very low38.7Very low77 Ų77105.8 Ų105.847%0.47252%0.522SS..THydrogen-bonded Turntrans-145.79.9178.146.90000111N731 D736 K867N731-T733 PolarHBondContact O-N 2.61Å; T733-D736 VanDerWaalsContact C-OD2 3.27Å; T733-D736 VanDerWaalsContact CA-OD2 3.25Å; T733-D736 WeakPolarHBondContact CA-OD2 3.48Å; T733-K867 HydrophobicContact CG2-CD 4.46Å
734Q27.8Very low36.7Very low155 Ų155102.6 Ų102.672%0.72452%0.518SS*.SBendtrans-135.26178.3-77.1-174.9-35.900113.3N731N731-Q734 HydrophobicContact CB-CB 4.36Å; N731-Q734 HydrophobicContact CB-CG 4.44Å; N731-Q734 PolarHBondContact O-N 2.87Å
735L32.7Very low34.7Very low98 Ų98108.4 Ų108.451%0.51355%0.546SS..SBendtrans-87.2-11.9163.3-76.9167.9000111.9E737 R738 F739L735-E737 PolarHBondContact O-N 3.12Å; L735-R738 PolarHBondContact O-N 3.36Å; L735-F739 HydrophobicContact CB-CD2 4.49Å; L735-F739 HydrophobicContact CD2-CD2 4.43Å; L735-F739 HydrophobicContact CD2-CE2 4.31Å; L735-F739 PolarHBondContact O-N 2.94Å
736D34.4Very low33.2Very low76 Ų76112.7 Ų112.741%0.40657%0.567SS.*Hα-helixtrans-60.8-37.6-171.9-63.1-60.6000113.2T733 R738 S740T733-D736 VanDerWaalsContact C-OD2 3.27Å; T733-D736 VanDerWaalsContact CA-OD2 3.25Å; T733-D736 WeakPolarHBondContact CA-OD2 3.48Å; D736-R738 VanDerWaalsContact C-N 3.27Å; D736-R738 PolarHBondContact O-N 3.46Å; D736-S740 VanDerWaalsContact O-CB 3.24Å; D736-S740 WeakPolarHBondContact O-CB 3.48Å; D736-S740 PolarHBondContact O-N 3.41Å; D736-S740 PolarHBondContact O-OG 2.78Å
737E28.7Very low32Very low185 Ų185118.6 Ų118.686%0.86459%0.586SS**Hα-helixtrans-71.7-11.8-177.8-67.8-170.4164.500114.9L735L735-E737 PolarHBondContact O-N 3.12Å
738R28.9Very low31.4Very low215 Ų215115.9 Ų115.981%0.81158%0.581SS**Hα-helixtrans-114.3-14.6174.9-71.9-165.9-179.6-162.70.5114.9L735 D736L735-R738 PolarHBondContact O-N 3.36Å; D736-R738 VanDerWaalsContact C-N 3.27Å; D736-R738 PolarHBondContact O-N 3.46Å
739F32.8Very low31Very low136 Ų136115.3 Ų115.360%0.59659%0.588SS**Hα-helixtrans-109.4-19.6178.5-77.7-81.8000114.8L735 N741 Y742L735-F739 HydrophobicContact CB-CD2 4.49Å; L735-F739 HydrophobicContact CD2-CD2 4.43Å; L735-F739 HydrophobicContact CD2-CE2 4.31Å; L735-F739 PolarHBondContact O-N 2.94Å; F739-N741 VanDerWaalsContact C-N 3.26Å; F739-N741 PolarHBondContact O-N 3.17Å; F739-Y742 PolarHBondContact O-N 3.17Å; F739-Y742 VanDerWaalsContact O-N 3.16Å
740S29.8Very low30.7Very low65 Ų65114.1 Ų114.146%0.45558%0.582SS.*Hα-helixtrans-59.7-35.3177-60.40000113D736 Y742 H743 A744D736-S740 VanDerWaalsContact O-CB 3.24Å; D736-S740 WeakPolarHBondContact O-CB 3.48Å; D736-S740 PolarHBondContact O-N 3.41Å; D736-S740 PolarHBondContact O-OG 2.78Å; S740-Y742 PolarHBondContact O-N 3Å; S740-H743 PolarHBondContact O-N 3.35Å; S740-A744 PolarHBondContact O-N 3.35Å
741N29.9Very low30.7Very low118 Ų118119.8 Ų119.863%0.63160%0.601SS**Hα-helixtrans-62.7-29.7179.4-69.33.2000113F739F739-N741 VanDerWaalsContact C-N 3.26Å; F739-N741 PolarHBondContact O-N 3.17Å
742Y31.2Very low30.6Very low158 Ų158121.3 Ų121.362%0.6262%0.616SS**Hα-helixtrans-77.8-17.5179.8-88.2-78.8000114.2F739 S740 I746F739-Y742 PolarHBondContact O-N 3.17Å; F739-Y742 VanDerWaalsContact O-N 3.16Å; S740-Y742 PolarHBondContact O-N 3Å; Y742-I746 WeakPolarHBondContact O-CD1 3.46Å
743H31.4Very low30.6Very low128 Ų128127.9 Ų127.959%0.59364%0.639SS**Hα-helixtrans-86.3-34.3174.8-115.5-78.5000112.2S740 E745 I746S740-H743 PolarHBondContact O-N 3.35Å; H743-E745 VanDerWaalsContact C-N 3.32Å; H743-E745 PolarHBondContact O-N 2.95Å; H743-I746 PolarHBondContact O-N 3.01Å
744A31.1Very low30.5Very low55 Ų55129.5 Ų129.546%0.45565%0.653SS.*Hα-helixtrans-66.8-28.3178.700000113.8S740 N748S740-A744 PolarHBondContact O-N 3.35Å; A744-N748 PolarHBondContact O-ND2 2.87Å
745E31.5Very low30.6Very low124 Ų124127.9 Ų127.958%0.57966%0.659SS**Hα-helixtrans-79.8-15.2177.3-68.4-171.9144.600113.7H743 N749H743-E745 VanDerWaalsContact C-N 3.32Å; H743-E745 PolarHBondContact O-N 2.95Å; E745-N749 PolarHBondContact O-ND2 2.88Å
746I34.3Very low30.6Very low103 Ų103128.8 Ų128.853%0.52867%0.671SS.*Hα-helixtrans-86.6-38.5-178.4-67.1175.3000111.7Y742 H743Y742-I746 WeakPolarHBondContact O-CD1 3.46Å; H743-I746 PolarHBondContact O-N 3.01Å
747E30.8Very low30.3Very low156 Ų156130.8 Ų130.873%0.72969%0.691SS**Hα-helixtrans-72.8-27.1178.2-68-170.2130.700113
748N32.1Very low30.4Very low134 Ų134130.6 Ų130.672%0.71769%0.69SS**THydrogen-bonded Turntrans-82.1-13.4178.8-74.6-67.8000114.6A744A744-N748 PolarHBondContact O-ND2 2.87Å
749N29.1Very low30.2Very low128 Ų128131.9 Ų131.968%0.68470%0.695SS**THydrogen-bonded Turntrans-10013.9-177.9-82.6-64000114.3E745E745-N749 PolarHBondContact O-ND2 2.88Å
750L27.2Very low30Very low141 Ų141131.6 Ų131.674%0.73870%0.704SS**SBendtrans-106.415-177.8-81.3165.9000114.9
751I27.9Very low30.2Very low158 Ų158134.1 Ų134.181%0.8172%0.719SS**SBendtrans-130.461.9175.9-43.5-178.4000112
752S27.5Very low30.4Very low91 Ų91135.2 Ų135.264%0.63673%0.73SS**  trans-168.1165.1155.3540000112.9
753H31Very low30.3Very low184 Ų184135.3 Ų135.385%0.85274%0.741SS**  trans68.4100.9169.8-57.9-63.4000118.8
754S30.4Very low30.1Very low111 Ų111134 Ų13478%0.77675%0.746SS**  trans-86.314317345.20000113.9
755S30.5Very low30.2Very low121 Ų121138 Ų13885%0.84677%0.766SS**  trans75.3153.2152.4-59.50000120
756P32.9Very low30.1Very low118 Ų118137.2 Ų137.277%0.76677%0.769SS**  trans-124.2-172.1-163.842.9-27.1000115.2
757S27.4Very low30.1Very low118 Ų118138.7 Ų138.783%0.82578%0.783SS**  trans98.4145.2-176.1-44.20000112.5
758Q31.5Very low30.1Very low181 Ų181136.9 Ų136.985%0.84678%0.778SS**  cis-133.3170.919.4-64.8170.5-29.100113.5
759R24Very low30.2Very low241 Ų241137.1 Ų137.191%0.90978%0.78SS**  trans-105.1138.4157.6-80.7-179.1170.8-176.4-3.2109.4
760T29Very low30.5Very low130 Ų130136.4 Ų136.480%0.79878%0.776SS**  trans-162.4148.4143.715.30000110.1
761P34.4Very low30.8Very low118 Ų118136 Ų13677%0.76678%0.775SS**  trans-94.1168.1178.738.6-35000112.8
762V32.5Very low31Very low141 Ų141137 Ų13786%0.85578%0.776SS**  trans-142.9147.6163.3-175.50000109.2
763D29.4Very low31.2Very low160 Ų160137.4 Ų137.486%0.85678%0.779SS**  trans-84178.8-168.2-57.4-81.5000116.7
764S28.3Very low31.2Very low100 Ų100134.6 Ų134.670%0.69977%0.77SS**  trans-94.9146.3-175.755.20000115.6
765T32.1Very low31.3Very low140 Ų140139.2 Ų139.286%0.85977%0.771SS**  trans-141.4119.5145.248.20000108.1
766T30.6Very low31.2Very low108 Ų108140.9 Ų140.966%0.66377%0.77SS**  cis90.797.549.7-53.30000114.3
767T33.3Very low31.1Very low133 Ų133142.2 Ų142.282%0.81677%0.77SS**  trans-150.1111.6137.644.70000106.5
768N31.7Very low31.2Very low118 Ų118141.8 Ų141.863%0.63176%0.762SS**  59.9119.481.5-7045.6000111
769N34.3Very low31.1Very low140 Ų140139.7 Ų139.775%0.74976%0.755SS**  cis-136.4142.839.7-76-27.2000111.3
770N33.8Very low31.4Very low113 Ų113136.7 Ų136.760%0.60475%0.751SS**  59.1131.888.8-64.167.7000114.5
771D33.4Very low31.4Very low133 Ų133137.2 Ų137.271%0.71175%0.75SS**  cis-156.5178.30.6-94.4-27.8000113.1
772E32.9Very low31.1Very low177 Ų177136.6 Ų136.683%0.82774%0.743SS**  trans-32.8167.3163.2-61.9177.3156.400118.7
773S31.4Very low30.9Very low101 Ų101137.5 Ų137.571%0.70674%0.738SS**  cis-173.5167.5-25.161.70000111.1
774D32Very low30.7Very low124 Ų124136.5 Ų136.566%0.66373%0.728SS**  trans70.1136.6154.5-116.733.6000123.2
775R32.3Very low30.7Very low209 Ų209142.8 Ų142.879%0.78974%0.738SS**  trans79.598151.5-64169.9-160.8-141.4-3.5123.4
776D28.5Very low30.8Very low156 Ų156140.6 Ų140.683%0.83473%0.727SS**  56143.5109.9-84.4-32.4000125.3
777L31Very low31Very low146 Ų146143.8 Ų143.876%0.76474%0.738SS**  trans82.388.3153.6-70.5166.7000122.2
778T29.7Very low30.8Very low108 Ų108144.2 Ų144.266%0.66374%0.735SS**  70.9115.2124.650.10000124
779I28.4Very low30.7Very low137 Ų137149.8 Ų149.870%0.70375%0.747SS**  trans65.1104.4130.3-48.8163.6000118.9
780H30.9Very low30.6Very low178 Ų178148.4 Ų148.482%0.82475%0.749SS**  -163.3123103.1-115.3-72.9000115.5
781N28.1Very low30.4Very low142 Ų142146.6 Ų146.676%0.75976%0.756SS**  trans-23.9142.1157-145.925.8000119.1
782V28.2Very low30.3Very low105 Ų105147.9 Ų147.964%0.63676%0.762SS**  154.5122.9122.1157.30000115.8
783Q28.4Very low30.2Very low159 Ų159143.6 Ų143.674%0.74375%0.751SS**  trans52.5159.2149.7-70.7179.1-80.400121.7
784E26.1Very low30.1Very low140 Ų140147.6 Ų147.665%0.65476%0.759SS**  cis-169.9168.1-31.6-114.5-177.7136.300107.5
785Y27.9Very low30Very low232 Ų232146.3 Ų146.391%0.9176%0.76SS**  trans-177.4145.7130.3-90-53.2000112.2
786P35.1Very low29.9Very low94 Ų94141.2 Ų141.261%0.6176%0.756SS**  trans-118.9-169-170.744.8-35.4000114.3
787I33Very low29.8Very low174 Ų174140.8 Ų140.889%0.89275%0.753SS**  trans-156.4153.5147-107.8154.2000111.8
788N29.7Very low29.6Very low142 Ų142139.2 Ų139.276%0.75975%0.749SS**  trans-111.6164.1-159.4-81.1-42.6000116.7
789R29.4Very low29.4Very low235 Ų235139.4 Ų139.489%0.88776%0.755SS**  trans-168.7117.3133.3-97.8169.6-174.6-149.40.1108.1
790S32Very low29.4Very low112 Ų112139.2 Ų139.278%0.78376%0.76SS**  74.2125.850.177.90000114.2
791G29.9Very low29.1Very low74 Ų74137.8 Ų137.876%0.76376%0.759SS**  cis-145.6-153.3-0.100000111.2
792I32.5Very low29.2Very low161 Ų161139.7 Ų139.783%0.82676%0.763SS**  cis-154137.322.3-74.9176.1000111.5
793S30.3Very low29.1Very low86 Ų86140.5 Ų140.560%0.60177%0.769SS**  trans13.8125.815674.10000122.2
794E29.4Very low29.2Very low185 Ų185141.2 Ų141.286%0.86477%0.769SS**  78.9151.984.8-70168.2171.100116.1
795S30Very low29.2Very low98 Ų98141.5 Ų141.569%0.68577%0.77SS**  cis-168.5157.9-16.456.60000113.4
796S29.6Very low29.3Very low101 Ų101135.6 Ų135.671%0.70676%0.759SS**  trans61.3115.9140.5-62.80000125.8
797L27.4Very low29Very low148 Ų148139 Ų13978%0.77577%0.766SS**  77.6110.5120.7-62.8172.7000124.7
798T26.2Very low28.8Very low113 Ų113137.4 Ų137.469%0.69376%0.76SS**  65.3121.2128.358.60000125.2
799S25.4Very low28.7Very low111 Ų111135.1 Ų135.178%0.77676%0.755SS**  trans65.2147.4142.9630000119.3
800T28.2Very low28.5Very low133 Ų133128.8 Ų128.882%0.81675%0.747SS**  cis-152.4172.130.2-45.20000112.4
801N25.5Very low28.2Very low148 Ų148130.3 Ų130.379%0.79175%0.745SS**  trans-76.2155.3-177.2-62.7-36.8000116.5
802Q29.4Very low28Very low183 Ų183133.9 Ų133.986%0.85575%0.746SS**  trans172107.6130.3-93.4174.433.600109.6
803T26.3Very low27.8Very low122 Ų122131.9 Ų131.975%0.74874%0.741SS**  64.3118.381.160.70000117.5
804K29.7Very low27.7Very low173 Ų173132.3 Ų132.375%0.75274%0.744SS**  trans-168.6123.3131.5-99.1-168.7177.1-116.50109.5
805E26.7Very low27.7Very low146 Ų146129.7 Ų129.768%0.68274%0.736SS**  71.6135.795.1-67.8175.5169.600113.3
806T29.7Very low27.7Very low109 Ų109130.5 Ų130.567%0.66974%0.737SS**  cis-161.4148.125.5-16.30000112.2
807Q29.3Very low27.8Very low164 Ų164133.9 Ų133.977%0.76674%0.742SS**  trans36.7155.8137.6-71174.818.200122.4
808N28.5Very low27.8Very low141 Ų141131 Ų13175%0.75474%0.735SS**  cis-158.7-167.31.5-119.4-11.8000112.8
809S26.9Very low27.9Very low95 Ų95135.1 Ų135.166%0.66474%0.743SS**  trans-87.1147.7-160.854.80000121
810S25.1Very low28.1Very low101 Ų101138 Ų13871%0.70674%0.744SS**  trans82.7144.4132.669.80000124.8
811L26.3Very low28.1Very low145 Ų145136.4 Ų136.476%0.75974%0.738SS**  trans87.3124152.8-75.9149.7000122.5
812L25.8Very low28.1Very low148 Ų148136.9 Ų136.978%0.77574%0.739SS**  trans68.1149.4153.9-56.2164.9000117.1
813T29Very low28Very low119 Ų119136.9 Ų136.973%0.7374%0.739SS**  cis-156.4157.82.1-2.70000110.5
814S27.7Very low27.9Very low95 Ų95136.8 Ų136.866%0.66474%0.739SS**  trans29.7152.8154.3770000122.3
815D29.4Very low27.7Very low130 Ų130136 Ų13670%0.69574%0.741SS**  cis-158157.638-104.6-60.1000115.4
816T29.6Very low27.7Very low115 Ų115136.1 Ų136.171%0.70675%0.752SS**  trans21.7145.8159.169.30000122.6
817Q31.7Very low27.4Very low172 Ų172136.1 Ų136.180%0.80476%0.755SS**  cis-152.6152.542.3-70.7-178.7-8.600114.8
818S26.8Very low27.3Very low89 Ų89138.3 Ų138.362%0.62276%0.762SS**  trans18.8138.215361.70000121.6
819F29.5Very low27.1Very low198 Ų198140.5 Ų140.587%0.86877%0.768SS**  -151.7162.351.5-101.8-86.4000116
820H29.2Very low27.1Very low172 Ų172141.6 Ų141.680%0.79678%0.776SS**  trans-67.8164.7175.2-80.8-76.8000114.9
821S28.4Very low27Very low99 Ų99144.7 Ų144.769%0.69278%0.784SS**  cis-161.3157.2-1.8-119.10000112.2
822I25.9Very low27.2Very low158 Ų158143.9 Ų143.981%0.8179%0.791SS**  trans-138.1137.5154.5-66.3178.2000107.4
823E26.8Very low27.2Very low184 Ų184141.8 Ų141.886%0.8679%0.789SS**  trans169.6168.5150.2-99173.3-169.300109
824T24.9Very low27.4Very low120 Ų120145.2 Ų145.274%0.73680%0.796SS**  cis-170.7157.2-44.8-88.90000106
825I24.9Very low27.5Very low156 Ų156145.9 Ų145.980%0.880%0.801SS**  trans-79.4138.9-169.6-63.3159.3000112.8
826T26.2Very low27.4Very low148 Ų148148.1 Ų148.191%0.90881%0.809SS**  trans-156.7154.4144.42.70000111.2
827C23.3Very low27.4Very low110 Ų110150.2 Ų150.274%0.74382%0.816SS**  trans-114.5148.3-164.8-173.60000113.4
828K27Very low27.5Very low210 Ų210148.8 Ų148.891%0.91381%0.814SS**  trans-150.6149156.3-106.8169.9-173.1175.50110.5
829Q24.5Very low27.8Very low186 Ų186150.1 Ų150.187%0.86981%0.814SS**  trans-101.1147-172.1-60.1165.9-36.900112.2
830S26.7Very low28Very low119 Ų119146.6 Ų146.683%0.83280%0.804SS**  trans-168.7123.7134.549.70000114.1
831N23.7Very low28.3Very low166 Ų166144.5 Ų144.589%0.88880%0.799SS**  trans-15134.5167.2-52.5-14.7000120.3
832S31Very low28.7Very low128 Ų128146.7 Ų146.790%0.89580%0.796SS**  -147.8161.2120.666.80000110.7
833S24.8Very low29Very low104 Ų104144.5 Ų144.573%0.72779%0.785SS**  trans-102141.7-160.954.60000114.5
834H33.1Very low29.3Very low191 Ų191142.6 Ų142.688%0.88478%0.776SS**  trans-153.3166.8138.8-107.8-72.7000111.4
835S30.8Very low29.7Very low109 Ų109144 Ų14476%0.76277%0.772SS**  trans-66.6134.8-160.147.50000116.3
836M26.1Very low30Very low176 Ų176141.3 Ų141.387%0.86776%0.759SS**  trans-102122.1155.8-75.9-167166.900110.2
837N30.2Very low30.3Very low159 Ų159140 Ų14085%0.8575%0.746SS**  trans-161.2-8.1152.8-12817.9000115.3
838D33.2Very low30.7Very low143 Ų143141.4 Ų141.477%0.76574%0.742SS**SBendtrans-952.8-172.6-75.5-48.9000116.5
839N33.5Very low30.9Very low116 Ų116137 Ų13762%0.6273%0.727SS**SBendtrans-96.4-15.9-169.8-78.4-22.4000115.8L843N839-L843 PolarHBondContact O-N 3.03Å
840N34.2Very low31.3Very low125 Ų125135 Ų13567%0.66872%0.723SS**Hα-helixtrans-75.2-41.2-177.3-74.4-6.6000112.6K842 L843 Q844N840-K842 PolarHBondContact O-N 3.06Å; N840-L843 PolarHBondContact O-N 2.98Å; N840-Q844 PolarHBondContact O-N 3.4Å; N840-Q844 VanDerWaalsContact O-N 3.14Å
841D36.2Very low31.6Very low127 Ų127133.4 Ų133.468%0.67971%0.711SS**Hα-helixtrans-64-27.9-179.8-7614.4000113.3K845D841-K845 PolarHBondContact O-N 3.37Å
842K35.1Very low32.6Very low146 Ų146130.8 Ų130.864%0.63571%0.706SS**Hα-helixtrans-75.7-33172.8-80.9179.2177.9169.10112.6N840 L846N840-K842 PolarHBondContact O-N 3.06Å; K842-L846 WeakPolarHBondContact O-CB 3.49Å; K842-L846 WeakPolarHBondContact O-CD1 3.41Å; K842-L846 VanDerWaalsContact O-CG 3.3Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 2.94Å
843L32.9Very low34.6Very low112 Ų112130.6 Ų130.659%0.58670%0.7SS**Hα-helixtrans-76.2-33.5-178.4-148.970.9000112N839 N840 N847N839-L843 PolarHBondContact O-N 3.03Å; N840-L843 PolarHBondContact O-N 2.98Å; L843-N847 PolarHBondContact O-N 3.24Å
844Q33.6Very low37.6Very low144 Ų144130 Ų13067%0.67368%0.681SS**Hα-helixtrans-65.9-47.5169.4-72.7-173.1-20.200111.7N840 L846 N847 E848N840-Q844 PolarHBondContact O-N 3.4Å; N840-Q844 VanDerWaalsContact O-N 3.14Å; Q844-L846 PolarHBondContact O-N 3.35Å; Q844-N847 PolarHBondContact O-N 3.45Å; Q844-N847 VanDerWaalsContact O-N 3.08Å; Q844-E848 PolarHBondContact O-N 2.81Å
845K32.3Very low40.2Very low148 Ų148127.5 Ų127.564%0.64367%0.67SS**Hα-helixtrans-65.4-20.4176.9-87.9179.6173.6169.10115.3D841 I849D841-K845 PolarHBondContact O-N 3.37Å; K845-I849 WeakPolarHBondContact O-CD1 3.44Å; K845-I849 WeakPolarHBondContact O-CG1 3.47Å
846L31.9Very low43.1Very low101 Ų101122.6 Ų122.653%0.52964%0.635SS.*Hα-helixtrans-81.2-28.1172.2-77.6166.5000112.7K842 Q844K842-L846 WeakPolarHBondContact O-CB 3.49Å; K842-L846 WeakPolarHBondContact O-CD1 3.41Å; K842-L846 VanDerWaalsContact O-CG 3.3Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 2.94Å; Q844-L846 PolarHBondContact O-N 3.35Å
847N31.9Very low46.3Very low120 Ų120117.2 Ų117.264%0.64261%0.613SS**Hα-helixtrans-78.7-27.1176.3-76.4-13.7000113.1L843 Q844 I849L843-N847 PolarHBondContact O-N 3.24Å; Q844-N847 PolarHBondContact O-N 3.45Å; Q844-N847 VanDerWaalsContact O-N 3.08Å; N847-I849 PolarHBondContact O-N 3.17Å
848E31.2Very low49.4Very low140 Ų140111.7 Ų111.765%0.65459%0.586SS**G310 helixtrans-67.1-21.1172.1-68.4-176.6134.800113.4Q844Q844-E848 PolarHBondContact O-N 2.81Å
849I32.6Very low52.3Low117 Ų117112.4 Ų112.460%0.659%0.585SS**G310 helixtrans-80.4-18-175-70170.7000112.7K845 N847K845-I849 WeakPolarHBondContact O-CD1 3.44Å; K845-I849 WeakPolarHBondContact O-CG1 3.47Å; N847-I849 PolarHBondContact O-N 3.17Å
850N31.6Very low55.2Low145 Ų145108.9 Ų108.978%0.77556%0.563SS**G310 helixtrans-95.818.6-178.2-79.2-32000114.8
851S33.5Very low58.1Low85 Ų85103 Ų10359%0.59453%0.532SS*.  trans-125.246.116958.10000112.2T853S851-T853 PolarHBondContact O-N 2.91Å
852S45.3Very low60.8Low110 Ų110101.1 Ų101.177%0.76952%0.519SS*.  trans-56.898.9168.345.50000110.2W854S852-W854 PolarHBondContact O-N 2.88Å; S852-W854 VanDerWaalsContact O-N 3.12Å
853T72.2Confident63.6Low125 Ų12596.9 Ų96.977%0.76751%0.508SS*.  trans-62.7117.3179.3-64.20000107.7S851 E855S851-T853 PolarHBondContact O-N 2.91Å; T853-E855 PolarHBondContact O-N 3.41Å
854W88.1Confident66.5Low91 Ų9192 Ų9235%0.34548%0.481SS..  trans-60.9129.7-176.5168.787.9000110.5Y542 P545 S852 P856 W860Y542-W854 WeakPolarHBondContact O-CZ3 3.06Å; P545-W854 HydrophobicContact CB-CD2 4.1Å; P545-W854 HydrophobicContact CB-CH2 4.35Å; P545-W854 HydrophobicContact CB-CZ2 3.87Å; P545-W854 HydrophobicContact CG-CD2 4.18Å; P545-W854 HydrophobicContact CG-CE3 4.45Å; P545-W854 HydrophobicContact CG-CG 4.47Å; S852-W854 PolarHBondContact O-N 2.88Å; S852-W854 VanDerWaalsContact O-N 3.12Å; W854-P856 HydrophobicContact CH2-CB 3.61Å; W854-P856 HydrophobicContact CH2-CG 4.15Å; W854-P856 HydrophobicContact CZ2-CB 3.8Å; W854-P856 HydrophobicContact CZ3-CB 4.33Å; W854-P856 HydrophobicContact CZ3-CG 4.41Å; W854-W860 HydrophobicContact CH2-CE3 4.33Å; W854-W860 AromaticContact CH2-CH2 3.72Å; W854-W860 HydrophobicContact CH2-CH2 3.72Å; W854-W860 HydrophobicContact CH2-CZ2 4.04Å; W854-W860 AromaticContact CH2-CZ3 3.87Å; W854-W860 HydrophobicContact CH2-CZ3 3.87Å; W854-W860 AromaticContact CZ2-CD2 3.79Å; W854-W860 HydrophobicContact CZ2-CD2 3.79Å; W854-W860 AromaticContact CZ2-CE2 3.68Å; W854-W860 AromaticContact CZ2-CE3 3.85Å; W854-W860 HydrophobicContact CZ2-CE3 3.85Å; W854-W860 AromaticContact CZ2-CH2 3.77Å; W854-W860 HydrophobicContact CZ2-CH2 3.77Å; W854-W860 AromaticContact CZ2-CZ2 3.7Å; W854-W860 HydrophobicContact CZ2-CZ2 3.7Å; W854-W860 AromaticContact CZ2-CZ3 3.84Å; W854-W860 HydrophobicContact CZ2-CZ3 3.84Å
855E88.9Confident69.4Low139 Ų13987.4 Ų87.465%0.6546%0.459SS*.  trans-116139.7169.9-65.8-167.716600110.2T853 T857T853-E855 PolarHBondContact O-N 3.41Å; E855-T857 PolarHBondContact O-N 3.41Å
856P91Very high72.3Confident5 Ų586.5 Ų86.53%0.03246%0.461CS..  trans-73.4120.9178.328.3-34.4000111.5Y542 Q593 I596 I600 W854 W860Y542-P856 WeakPolarHBondContact O-CG 3.47Å; Q593-P856 PolarHBondContact NE2-O 3.44Å; I596-P856 HydrophobicContact CG2-CB 4.25Å; I596-P856 HydrophobicContact CG2-CG 3.78Å; I600-P856 HydrophobicContact CD1-CG 3.27Å; W854-P856 HydrophobicContact CH2-CB 3.61Å; W854-P856 HydrophobicContact CH2-CG 4.15Å; W854-P856 HydrophobicContact CZ2-CB 3.8Å; W854-P856 HydrophobicContact CZ3-CB 4.33Å; W854-P856 HydrophobicContact CZ3-CG 4.41Å; P856-W860 HydrophobicContact CB-CE3 3.57Å; P856-W860 HydrophobicContact CB-CZ3 3.57Å
857T94Very high75.2Confident63 Ų6385.8 Ų85.839%0.38745%0.453SS..  trans-90.7155.117467.30000112.3Q593 E855 E859 W860 V861Q593-T857 VanDerWaalsContact OE1-CA 3.27Å; E855-T857 PolarHBondContact O-N 3.41Å; T857-E859 PolarHBondContact O-N 3.38Å; T857-W860 WeakPolarHBondContact O-CB 3.46Å; T857-W860 PolarHBondContact O-N 2.94Å; T857-W860 VanDerWaalsContact O-N 3.09Å; T857-W860 WeakPolarHBondContact OG1-CB 3.36Å; T857-W860 PolarHBondContact OG1-N 3.26Å; T857-V861 PolarHBondContact O-N 3.3Å
858S95.2Very high78.2Confident43 Ų4380.6 Ų80.630%0.30143%0.425SS..Hα-helixtrans-48.7-46.5169167.70000111.5T591 V861 H862T591-S858 VanDerWaalsContact O-CA 3.3Å; T591-S858 WeakPolarHBondContact O-CA 3.39Å; T591-S858 WeakPolarHBondContact O-CB 3.46Å; T591-S858 PolarHBondContact O-OG 2.95Å; S858-V861 PolarHBondContact O-N 3.37Å; S858-H862 WeakPolarHBondContact O-CB 3.32Å; S858-H862 PolarHBondContact O-N 3.25Å
859E93.7Very high81.1Confident158 Ų15876.3 Ų76.374%0.73841%0.409SS*.Hα-helixtrans-62-44.6177.1-62.2179.7169.500112T857 H862 S863T857-E859 PolarHBondContact O-N 3.38Å; E859-H862 PolarHBondContact O-N 3.4Å; E859-S863 WeakPolarHBondContact O-CB 3.43Å; E859-S863 PolarHBondContact O-N 3.17Å
860W94.4Very high84Confident43 Ų4372.1 Ų72.116%0.16339%0.387CS..Hα-helixtrans-61.2-48.2176.7170.681.4000111.6L541 Y542 P545 H548 W854 P856 T857 H862 S863 W864L541-W860 WeakPolarHBondContact O-CH2 3.09Å; Y542-W860 HydrophobicContact CD1-CZ3 4.48Å; P545-W860 WeakPolarHBondContact O-CZ2 3.35Å; H548-W860 AromaticContact ND1-CZ2 3.74Å; W854-W860 HydrophobicContact CH2-CE3 4.33Å; W854-W860 AromaticContact CH2-CH2 3.72Å; W854-W860 HydrophobicContact CH2-CH2 3.72Å; W854-W860 HydrophobicContact CH2-CZ2 4.04Å; W854-W860 AromaticContact CH2-CZ3 3.87Å; W854-W860 HydrophobicContact CH2-CZ3 3.87Å; W854-W860 AromaticContact CZ2-CD2 3.79Å; W854-W860 HydrophobicContact CZ2-CD2 3.79Å; W854-W860 AromaticContact CZ2-CE2 3.68Å; W854-W860 AromaticContact CZ2-CE3 3.85Å; W854-W860 HydrophobicContact CZ2-CE3 3.85Å; W854-W860 AromaticContact CZ2-CH2 3.77Å; W854-W860 HydrophobicContact CZ2-CH2 3.77Å; W854-W860 AromaticContact CZ2-CZ2 3.7Å; W854-W860 HydrophobicContact CZ2-CZ2 3.7Å; W854-W860 AromaticContact CZ2-CZ3 3.84Å; W854-W860 HydrophobicContact CZ2-CZ3 3.84Å; P856-W860 HydrophobicContact CB-CE3 3.57Å; P856-W860 HydrophobicContact CB-CZ3 3.57Å; T857-W860 WeakPolarHBondContact O-CB 3.46Å; T857-W860 PolarHBondContact O-N 2.94Å; T857-W860 VanDerWaalsContact O-N 3.09Å; T857-W860 WeakPolarHBondContact OG1-CB 3.36Å; T857-W860 PolarHBondContact OG1-N 3.26Å; W860-H862 VanDerWaalsContact C-N 3.33Å; W860-H862 PolarHBondContact O-N 3.48Å; W860-S863 PolarHBondContact O-N 3.28Å; W860-S863 PolarHBondContact O-OG 3.04Å; W860-W864 AromaticContact CD2-NE1 3.53Å; W860-W864 AromaticContact CE2-CD1 3.78Å; W860-W864 AromaticContact CE2-NE1 3.28Å; W860-W864 VanDerWaalsContact CE2-NE1 3.28Å; W860-W864 AromaticContact CE3-NE1 3.68Å; W860-W864 AromaticContact CH2-CE2 3.93Å; W860-W864 AromaticContact CH2-CZ2 3.9Å; W860-W864 HydrophobicContact CH2-CZ2 3.9Å; W860-W864 AromaticContact CH2-NE1 3.39Å; W860-W864 AromaticContact CZ2-CD1 3.97Å; W860-W864 AromaticContact CZ2-NE1 3.2Å; W860-W864 AromaticContact CZ3-CZ2 3.96Å; W860-W864 HydrophobicContact CZ3-CZ2 3.96Å; W860-W864 AromaticContact CZ3-NE1 3.61Å; W860-W864 AromaticContact NE1-CD1 3.99Å; W860-W864 AromaticContact NE1-NE1 3.97Å; W860-W864 PolarHBondContact O-NE1 3.37Å
861V94.4Very high86.9Confident0 Ų071.6 Ų71.60%038%0.38CS..Hα-helixtrans-58.9-46176.3-178.30000110.5Y542 L589 T591 I596 T857 S858 S863 W864 K865Y542-V861 HydrophobicContact CD1-CG2 4.07Å; Y542-V861 HydrophobicContact CE1-CG1 4.15Å; Y542-V861 HydrophobicContact CE1-CG2 3.85Å; L589-V861 HydrophobicContact CD2-CG1 4.12Å; T591-V861 HydrophobicContact CG2-CG1 3.98Å; I596-V861 HydrophobicContact CD1-CB 4.41Å; I596-V861 HydrophobicContact CD1-CG2 3.72Å; T857-V861 PolarHBondContact O-N 3.3Å; S858-V861 PolarHBondContact O-N 3.37Å; V861-S863 VanDerWaalsContact C-N 3.32Å; V861-S863 PolarHBondContact O-N 2.99Å; V861-W864 HydrophobicContact CB-CZ2 4.35Å; V861-W864 HydrophobicContact CG1-CH2 4.07Å; V861-W864 HydrophobicContact CG1-CZ2 3.89Å; V861-W864 HydrophobicContact CG2-CZ2 4.38Å; V861-W864 PolarHBondContact O-N 3.39Å; V861-K865 WeakPolarHBondContact O-CB 3.37Å; V861-K865 PolarHBondContact O-N 3.46Å
862H93.6Very high89.8Confident89 Ų8968 Ų6841%0.41235%0.354SS..Hα-helixtrans-62.2-39.3180-153.987000112.2S858 E859 W860 W864 K865 L866S858-H862 WeakPolarHBondContact O-CB 3.32Å; S858-H862 PolarHBondContact O-N 3.25Å; E859-H862 PolarHBondContact O-N 3.4Å; W860-H862 VanDerWaalsContact C-N 3.33Å; W860-H862 PolarHBondContact O-N 3.48Å; H862-W864 VanDerWaalsContact C-N 3.25Å; H862-W864 PolarHBondContact O-N 2.89Å; H862-K865 PolarHBondContact O-N 3.43Å; H862-L866 PolarHBondContact O-N 3.09Å
863S93.8Very high92.2Very high57 Ų5762.7 Ų62.740%0.39932%0.317SS..Hα-helixtrans-59.6-29.2-17679.20000114.7E859 W860 V861 K867E859-S863 WeakPolarHBondContact O-CB 3.43Å; E859-S863 PolarHBondContact O-N 3.17Å; W860-S863 PolarHBondContact O-N 3.28Å; W860-S863 PolarHBondContact O-OG 3.04Å; V861-S863 VanDerWaalsContact C-N 3.32Å; V861-S863 PolarHBondContact O-N 2.99Å; S863-K867 WeakPolarHBondContact O-CD 3.39Å; S863-K867 PolarHBondContact O-NZ 3.48Å
864W94.1Very high93.4Very high10 Ų1058.5 Ų58.54%0.03829%0.29CS..Hα-helixtrans-106.1-29.4174.357.9-106.4000113.4L541 H548 F552 L589 W860 V861 H862 L866 K867 M868L541-W864 HydrophobicContact CB-CH2 4.33Å; L541-W864 HydrophobicContact CD1-CH2 4.23Å; L541-W864 HydrophobicContact CD2-CH2 4.21Å; H548-W864 HydrophobicContact CB-CD2 3.78Å; H548-W864 HydrophobicContact CB-CE3 3.97Å; H548-W864 HydrophobicContact CB-CG 4.31Å; H548-W864 HydrophobicContact CB-CH2 4.23Å; H548-W864 HydrophobicContact CB-CZ2 4.03Å; H548-W864 HydrophobicContact CB-CZ3 4.21Å; H548-W864 AromaticContact CD2-CG 3.83Å; H548-W864 AromaticContact CG-CD2 3.93Å; H548-W864 AromaticContact CG-CG 3.91Å; H548-W864 AromaticContact ND1-CD1 3.98Å; H548-W864 AromaticContact ND1-NE1 4Å; F552-W864 HydrophobicContact CE2-CB 4.35Å; F552-W864 WeakPolarHBondContact CZ-O 3.21Å; L589-W864 HydrophobicContact CD2-CH2 3.53Å; L589-W864 HydrophobicContact CD2-CZ3 3.95Å; W860-W864 AromaticContact CD2-NE1 3.53Å; W860-W864 AromaticContact CE2-CD1 3.78Å; W860-W864 AromaticContact CE2-NE1 3.28Å; W860-W864 VanDerWaalsContact CE2-NE1 3.28Å; W860-W864 AromaticContact CE3-NE1 3.68Å; W860-W864 AromaticContact CH2-CE2 3.93Å; W860-W864 AromaticContact CH2-CZ2 3.9Å; W860-W864 HydrophobicContact CH2-CZ2 3.9Å; W860-W864 AromaticContact CH2-NE1 3.39Å; W860-W864 AromaticContact CZ2-CD1 3.97Å; W860-W864 AromaticContact CZ2-NE1 3.2Å; W860-W864 AromaticContact CZ3-CZ2 3.96Å; W860-W864 HydrophobicContact CZ3-CZ2 3.96Å; W860-W864 AromaticContact CZ3-NE1 3.61Å; W860-W864 AromaticContact NE1-CD1 3.99Å; W860-W864 AromaticContact NE1-NE1 3.97Å; W860-W864 PolarHBondContact O-NE1 3.37Å; V861-W864 HydrophobicContact CB-CZ2 4.35Å; V861-W864 HydrophobicContact CG1-CH2 4.07Å; V861-W864 HydrophobicContact CG1-CZ2 3.89Å; V861-W864 HydrophobicContact CG2-CZ2 4.38Å; V861-W864 PolarHBondContact O-N 3.39Å; H862-W864 VanDerWaalsContact C-N 3.25Å; H862-W864 PolarHBondContact O-N 2.89Å; W864-L866 VanDerWaalsContact C-N 3.32Å; W864-L866 PolarHBondContact O-N 2.87Å; W864-K867 PolarHBondContact O-N 2.88Å; W864-M868 HydrophobicContact CE3-CE 3.74Å; W864-M868 HydrophobicContact CE3-SD 4.43Å; W864-M868 HydrophobicContact CZ3-CE 3.49Å; W864-M868 VanDerWaalsContact CZ3-CE 3.49Å; W864-M868 HydrophobicContact CZ3-SD 4.2Å
865K94.2Very high93.7Very high46 Ų4659.1 Ų59.120%0.229%0.292CS..Hα-helixtrans-58.5-43.7178.6-176.3-173.9174.6-172.50111.7A587 L589 T591 V861 H862 K867 M868A587-K865 WeakPolarHBondContact O-CE 3.34Å; A587-K865 PolarHBondContact O-NZ 3.12Å; L589-K865 HydrophobicContact CB-CD 4.38Å; L589-K865 PolarHBondContact O-NZ 3.43Å; T591-K865 HydrophobicContact CG2-CD 3.56Å; V861-K865 WeakPolarHBondContact O-CB 3.37Å; V861-K865 PolarHBondContact O-N 3.46Å; H862-K865 PolarHBondContact O-N 3.43Å; K865-K867 PolarHBondContact O-N 2.86Å; K865-K867 VanDerWaalsContact O-N 3.15Å; K865-M868 PolarHBondContact O-N 3.05Å
866L92Very high94Very high130 Ų13052.5 Ų52.568%0.68126%0.261SS*.THydrogen-bonded Turntrans-60.3-22.8177.2-69.7-178.2000113.8H862 W864H862-L866 PolarHBondContact O-N 3.09Å; W864-L866 VanDerWaalsContact C-N 3.32Å; W864-L866 PolarHBondContact O-N 2.87Å
867K94.1Very high94.3Very high86 Ų8652.3 Ų52.337%0.37426%0.26SS..THydrogen-bonded Turntrans-95.3-1.1-175.6-64.9174174.9117.30113.4F552 A732 T733 S863 W864 K865F552-K867 HydrophobicContact CE1-CB 4.24Å; F552-K867 VanDerWaalsContact CE1-O 3.25Å; F552-K867 WeakPolarHBondContact CE1-O 3.2Å; F552-K867 HydrophobicContact CZ-CB 3.97Å; A732-K867 VanDerWaalsContact O-CD 3.28Å; A732-K867 WeakPolarHBondContact O-CD 3.26Å; A732-K867 WeakPolarHBondContact O-CE 3.23Å; T733-K867 HydrophobicContact CG2-CD 4.46Å; S863-K867 WeakPolarHBondContact O-CD 3.39Å; S863-K867 PolarHBondContact O-NZ 3.48Å; W864-K867 PolarHBondContact O-N 2.88Å; K865-K867 PolarHBondContact O-N 2.86Å; K865-K867 VanDerWaalsContact O-N 3.15Å
868M93.7Very high94.3Very high11 Ų1155 Ų555%0.05427%0.268CS..  trans-65.7124.6-178.8-76-170.2152.100110.9V551 F552 L555 L586 W864 K865 F870V551-M868 HydrophobicContact CB-CE 4.21Å; V551-M868 HydrophobicContact CG1-CE 3.67Å; F552-M868 HydrophobicContact CD2-CE 4.23Å; F552-M868 HydrophobicContact CD2-CG 4.42Å; F552-M868 HydrophobicContact CE2-CE 4.02Å; F552-M868 HydrophobicContact CE2-CG 3.68Å; F552-M868 HydrophobicContact CZ-CB 4.48Å; F552-M868 HydrophobicContact CZ-CG 3.81Å; L555-M868 HydrophobicContact CD1-CB 4.13Å; L555-M868 HydrophobicContact CD1-CG 4.34Å; L555-M868 HydrophobicContact CD1-SD 4.41Å; L586-M868 HydrophobicContact CD1-CE 4.18Å; L586-M868 HydrophobicContact CD1-SD 4.13Å; L586-M868 HydrophobicContact CD2-CE 4.44Å; L586-M868 HydrophobicContact CD2-SD 4.12Å; L586-M868 HydrophobicContact CG-SD 4.01Å; W864-M868 HydrophobicContact CE3-CE 3.74Å; W864-M868 HydrophobicContact CE3-SD 4.43Å; W864-M868 HydrophobicContact CZ3-CE 3.49Å; W864-M868 VanDerWaalsContact CZ3-CE 3.49Å; W864-M868 HydrophobicContact CZ3-SD 4.2Å; K865-M868 PolarHBondContact O-N 3.05Å; M868-F870 VanDerWaalsContact C-N 3.26Å; M868-F870 HydrophobicContact CB-CD2 3.69Å; M868-F870 HydrophobicContact CB-CE2 3.57Å; M868-F870 HydrophobicContact CG-CE2 4.41Å; M868-F870 PolarHBondContact O-N 2.8Å; M868-F870 HydrophobicContact SD-CE2 4.05Å; M868-F870 HydrophobicContact SD-CZ 4.43Å
869P93.3Very high94.3Very high49 Ų4954 Ų5432%0.31826%0.26SS..  trans-79.471.1-169.332.8-37.3000111.8L555 N559L555-P869 HydrophobicContact CB-CG 4.02Å; N559-P869 PolarHBondContact ND2-O 2.81Å
870F92.6Very high94.3Very high30 Ų3046.8 Ų46.813%0.13223%0.226CC..  trans-81.6-20.3-176-84.2-66000115L555 F583 L586 A587 M868 T872 I873 M874L555-F870 HydrophobicContact CD2-CE1 4.41Å; F583-F870 HydrophobicContact CB-CE1 4.42Å; L586-F870 HydrophobicContact CB-CZ 4Å; L586-F870 HydrophobicContact CD2-CE1 4.34Å; L586-F870 HydrophobicContact CD2-CZ 3.81Å; L586-F870 HydrophobicContact CG-CZ 3.75Å; A587-F870 HydrophobicContact CB-CE1 4.36Å; A587-F870 HydrophobicContact CB-CE2 4.11Å; A587-F870 HydrophobicContact CB-CZ 3.99Å; M868-F870 VanDerWaalsContact C-N 3.26Å; M868-F870 HydrophobicContact CB-CD2 3.69Å; M868-F870 HydrophobicContact CB-CE2 3.57Å; M868-F870 HydrophobicContact CG-CE2 4.41Å; M868-F870 PolarHBondContact O-N 2.8Å; M868-F870 HydrophobicContact SD-CE2 4.05Å; M868-F870 HydrophobicContact SD-CZ 4.43Å; F870-T872 PolarHBondContact O-N 3.29Å; F870-I873 PolarHBondContact O-N 3.44Å; F870-M874 HydrophobicContact CB-CG 3.97Å; F870-M874 HydrophobicContact CD1-CE 3.58Å; F870-M874 HydrophobicContact CD1-CG 4.31Å; F870-M874 HydrophobicContact CE1-CE 3.86Å; F870-M874 HydrophobicContact CG-CE 4.24Å; F870-M874 WeakPolarHBondContact O-CB 3.49Å; F870-M874 WeakPolarHBondContact O-CG 3.48Å; F870-M874 PolarHBondContact O-N 3.14Å
871Q92.4Very high94.3Very high134 Ų13445.2 Ų45.263%0.62622%0.221SC*.Hα-helixtrans-53.2-50.2-163.8-160.7-171.817.800113.1R875 P913Q871-R875 WeakPolarHBondContact O-CB 3.43Å; Q871-R875 PolarHBondContact O-N 2.97Å; Q871-P913 HydrophobicContact CB-CG 4.31Å; Q871-P913 HydrophobicContact CG-CB 4.36Å; Q871-P913 HydrophobicContact CG-CG 3.73Å
872T95.2Very high94.3Very high8 Ų848.6 Ų48.65%0.04924%0.243CC..Hα-helixtrans-63.1-48.7179.4-51.50000112.3N559 I562 Q563 F870 R875 L876 L912N559-T872 WeakPolarHBondContact OD1-CB 3.42Å; I562-T872 HydrophobicContact CB-CG2 4.05Å; I562-T872 HydrophobicContact CG2-CG2 3.62Å; Q563-T872 HydrophobicContact CG-CG2 3.86Å; F870-T872 PolarHBondContact O-N 3.29Å; T872-R875 PolarHBondContact O-N 3.4Å; T872-L876 WeakPolarHBondContact O-CB 3.35Å; T872-L876 PolarHBondContact O-N 2.79Å; T872-L912 HydrophobicContact CG2-CD2 4.05Å
873I96.2Very high94.2Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-67.6-41.8-178.3-64.2151.2000111.3L555 F558 N559 I562 I576 F583 F870 R875 L876 L877L555-I873 HydrophobicContact CD2-CD1 3.8Å; F558-I873 HydrophobicContact CB-CD1 3.97Å; F558-I873 HydrophobicContact CB-CG1 4.26Å; N559-I873 WeakPolarHBondContact OD1-CD1 3.39Å; N559-I873 WeakPolarHBondContact OD1-CG1 3.35Å; I562-I873 HydrophobicContact CD1-CG1 3.76Å; I576-I873 HydrophobicContact CG2-CG2 4.42Å; F583-I873 HydrophobicContact CB-CG2 4.49Å; F583-I873 HydrophobicContact CD1-CD1 4.34Å; F583-I873 HydrophobicContact CD1-CG2 3.66Å; F583-I873 HydrophobicContact CD2-CG2 4.26Å; F583-I873 HydrophobicContact CE1-CD1 4.03Å; F583-I873 HydrophobicContact CE1-CG2 3.84Å; F583-I873 HydrophobicContact CE2-CG2 4.44Å; F583-I873 HydrophobicContact CG-CG2 3.88Å; F583-I873 HydrophobicContact CZ-CG2 4.23Å; F870-I873 PolarHBondContact O-N 3.44Å; I873-R875 VanDerWaalsContact C-N 3.33Å; I873-L876 WeakPolarHBondContact O-CB 3.36Å; I873-L876 PolarHBondContact O-N 3.27Å; I873-L877 HydrophobicContact CG2-CD1 4.13Å; I873-L877 WeakPolarHBondContact O-CG 3.35Å; I873-L877 PolarHBondContact O-N 3.08Å
874M95.6Very high94.2Very high37 Ų3746.4 Ų46.418%0.18223%0.228CC..Hα-helixtrans-66.9-37.6177.4-68.3-62.1-179.100111.1F583 Y584 A587 F870 L877 Q878F583-M874 HydrophobicContact CB-CE 4.01Å; F583-M874 WeakPolarHBondContact O-CE 3.37Å; Y584-M874 HydrophobicContact CD1-CE 4.11Å; Y584-M874 HydrophobicContact CD1-SD 3.99Å; Y584-M874 HydrophobicContact CE1-SD 3.9Å; A587-M874 HydrophobicContact CB-CE 3.75Å; F870-M874 HydrophobicContact CB-CG 3.97Å; F870-M874 HydrophobicContact CD1-CE 3.58Å; F870-M874 HydrophobicContact CD1-CG 4.31Å; F870-M874 HydrophobicContact CE1-CE 3.86Å; F870-M874 HydrophobicContact CG-CE 4.24Å; F870-M874 WeakPolarHBondContact O-CB 3.49Å; F870-M874 WeakPolarHBondContact O-CG 3.48Å; F870-M874 PolarHBondContact O-N 3.14Å; M874-L877 PolarHBondContact O-N 3.32Å; M874-L877 HydrophobicContact SD-CD1 4.45Å; M874-Q878 WeakPolarHBondContact O-CB 3.4Å; M874-Q878 VanDerWaalsContact O-CG 3.24Å; M874-Q878 WeakPolarHBondContact O-CG 3.38Å; M874-Q878 PolarHBondContact O-N 3.43Å
875R95.3Very high94.1Very high104 Ų10450 Ų5039%0.39225%0.245SC..Hα-helixtrans-66.4-42.7174.5-172.955.2171.2-176.4-2112.5Q871 T872 I873 L877 Q878 V879 L911 L912Q871-R875 WeakPolarHBondContact O-CB 3.43Å; Q871-R875 PolarHBondContact O-N 2.97Å; T872-R875 PolarHBondContact O-N 3.4Å; I873-R875 VanDerWaalsContact C-N 3.33Å; R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.64Å; R875-Q878 PolarHBondContact O-N 2.93Å; R875-V879 WeakPolarHBondContact O-CG2 3.34Å; R875-V879 PolarHBondContact O-N 2.92Å; R875-V879 VanDerWaalsContact O-N 3.11Å; R875-L911 WeakPolarHBondContact CG-O 3.19Å; R875-L911 PolarHBondContact NE-O 3.28Å; R875-L912 HydrophobicContact CG-CD2 4.49Å
876L95.7Very high94Very high0 Ų053.9 Ų53.90%026%0.262CS..Hα-helixtrans-53.7-49.6171.4176.874.8000111.2I562 F566 V573 I576 T872 I873 V879 L880 L908 L912I562-L876 HydrophobicContact CD1-CD2 3.66Å; I562-L876 HydrophobicContact CG1-CD2 3.98Å; I562-L876 HydrophobicContact CG2-CD1 4.35Å; I562-L876 HydrophobicContact CG2-CD2 4.43Å; F566-L876 HydrophobicContact CE2-CD1 4.11Å; V573-L876 HydrophobicContact CG1-CD1 4.31Å; I576-L876 HydrophobicContact CD1-CD2 4.43Å; I576-L876 HydrophobicContact CG2-CD2 4.05Å; T872-L876 WeakPolarHBondContact O-CB 3.35Å; T872-L876 PolarHBondContact O-N 2.79Å; I873-L876 WeakPolarHBondContact O-CB 3.36Å; I873-L876 PolarHBondContact O-N 3.27Å; L876-V879 PolarHBondContact O-N 3.16Å; L876-L880 HydrophobicContact CD1-CD1 3.45Å; L876-L880 VanDerWaalsContact CD1-CD1 3.45Å; L876-L880 HydrophobicContact CD1-CG 4.24Å; L876-L880 HydrophobicContact CG-CD1 4.26Å; L876-L880 WeakPolarHBondContact O-CB 3.27Å; L876-L880 PolarHBondContact O-N 3.28Å; L876-L908 HydrophobicContact CD1-CD1 3.33Å; L876-L912 HydrophobicContact CB-CD2 4.45Å
877L96.3Very high93.8Very high1 Ų148.7 Ų48.71%0.00524%0.235CC..Hα-helixtrans-65.7-44.6-179.8-71.4172.1000112.1I576 I577 R580 F583 Y584 I873 M874 R875 V879 V881I576-L877 HydrophobicContact CG2-CD2 3.95Å; I576-L877 HydrophobicContact CG2-CG 4.37Å; I577-L877 HydrophobicContact CG1-CD2 4.35Å; R580-L877 HydrophobicContact CB-CD1 4.06Å; R580-L877 HydrophobicContact CB-CD2 3.62Å; R580-L877 HydrophobicContact CB-CG 4.49Å; F583-L877 HydrophobicContact CB-CD1 4.38Å; F583-L877 HydrophobicContact CD2-CD1 4.38Å; Y584-L877 HydrophobicContact CE1-CD1 4.02Å; I873-L877 HydrophobicContact CG2-CD1 4.13Å; I873-L877 WeakPolarHBondContact O-CG 3.35Å; I873-L877 PolarHBondContact O-N 3.08Å; M874-L877 PolarHBondContact O-N 3.32Å; M874-L877 HydrophobicContact SD-CD1 4.45Å; R875-L877 VanDerWaalsContact C-N 3.33Å; R875-L877 PolarHBondContact O-N 2.64Å; L877-V879 VanDerWaalsContact C-N 3.25Å; L877-V879 PolarHBondContact O-N 2.84Å; L877-V881 HydrophobicContact CB-CG2 4.17Å; L877-V881 HydrophobicContact CD2-CG2 3.7Å; L877-V881 WeakPolarHBondContact O-CB 3.47Å; L877-V881 WeakPolarHBondContact O-CG2 3.49Å; L877-V881 PolarHBondContact O-N 3.38Å
878Q94.8Very high93.6Very high120 Ų12046.2 Ų46.256%0.56123%0.228SC*.Hα-helixtrans-56.1-38.3176-76.8169.5-0.100112.9M874 R875 P882M874-Q878 WeakPolarHBondContact O-CB 3.4Å; M874-Q878 VanDerWaalsContact O-CG 3.24Å; M874-Q878 WeakPolarHBondContact O-CG 3.38Å; M874-Q878 PolarHBondContact O-N 3.43Å; R875-Q878 PolarHBondContact O-N 2.93Å; Q878-P882 VanDerWaalsContact O-CD 3.3Å; Q878-P882 WeakPolarHBondContact O-CD 3.31Å; Q878-P882 WeakPolarHBondContact O-CG 3.4Å
879V94Very high93.5Very high22 Ų2252.1 Ų52.113%0.13326%0.258CS..Hα-helixtrans-81.7-50.8-178172.60000111.6R875 L876 L877 Q883 L908 L911R875-V879 WeakPolarHBondContact O-CG2 3.34Å; R875-V879 PolarHBondContact O-N 2.92Å; R875-V879 VanDerWaalsContact O-N 3.11Å; L876-V879 PolarHBondContact O-N 3.16Å; L877-V879 VanDerWaalsContact C-N 3.25Å; L877-V879 PolarHBondContact O-N 2.84Å; V879-Q883 VanDerWaalsContact O-CG 3.32Å; V879-Q883 WeakPolarHBondContact O-CG 3.45Å; V879-Q883 PolarHBondContact O-NE2 3.43Å; V879-L908 HydrophobicContact CG1-CD2 3.98Å; V879-L911 HydrophobicContact CG1-CD1 3.86Å; V879-L911 HydrophobicContact CG2-CB 4.48Å
880L94.2Very high93.3Very high5 Ų555 Ų553%0.02627%0.27CS..Hα-helixtrans-89-27.8-168.3-64.7-177.3000114.5F566 V573 I577 L876 Q883 V884 L903 L908F566-L880 HydrophobicContact CE2-CD1 4.2Å; F566-L880 HydrophobicContact CZ-CD1 4.31Å; V573-L880 HydrophobicContact CG1-CD1 3.55Å; I577-L880 HydrophobicContact CD1-CB 3.73Å; I577-L880 HydrophobicContact CD1-CD1 4.23Å; I577-L880 HydrophobicContact CG1-CB 4.5Å; L876-L880 HydrophobicContact CD1-CD1 3.45Å; L876-L880 VanDerWaalsContact CD1-CD1 3.45Å; L876-L880 HydrophobicContact CD1-CG 4.24Å; L876-L880 HydrophobicContact CG-CD1 4.26Å; L876-L880 WeakPolarHBondContact O-CB 3.27Å; L876-L880 PolarHBondContact O-N 3.28Å; L880-Q883 PolarHBondContact O-N 3.4Å; L880-V884 WeakPolarHBondContact O-CB 3.31Å; L880-V884 WeakPolarHBondContact O-CG2 3.45Å; L880-V884 PolarHBondContact O-N 3.38Å; L880-L903 HydrophobicContact CD1-CD2 4.03Å; L880-L908 HydrophobicContact CD1-CD1 4.41Å; L880-L908 HydrophobicContact CD1-CD2 4.41Å; L880-L908 HydrophobicContact CD2-CD2 4.03Å; L880-L908 HydrophobicContact CG-CD2 4.17Å
881V95.1Very high92.9Very high10 Ų1060.8 Ų60.86%0.06130%0.296CS..Hα-helixtrans-61.3-49.3179.8175.40000111.1I577 L877 Q883 V884 E885I577-V881 HydrophobicContact CG1-CG2 4.34Å; I577-V881 HydrophobicContact CG2-CG2 4.26Å; L877-V881 HydrophobicContact CB-CG2 4.17Å; L877-V881 HydrophobicContact CD2-CG2 3.7Å; L877-V881 WeakPolarHBondContact O-CB 3.47Å; L877-V881 WeakPolarHBondContact O-CG2 3.49Å; L877-V881 PolarHBondContact O-N 3.38Å; V881-Q883 VanDerWaalsContact C-N 3.3Å; V881-Q883 PolarHBondContact O-N 3.12Å; V881-V884 PolarHBondContact O-N 2.89Å; V881-E885 VanDerWaalsContact CG1-CD 3.48Å; V881-E885 HydrophobicContact CG1-CG 4.21Å; V881-E885 VanDerWaalsContact CG1-OE1 3.31Å; V881-E885 WeakPolarHBondContact CG1-OE1 3.29Å; V881-E885 WeakPolarHBondContact O-CB 3.3Å; V881-E885 WeakPolarHBondContact O-CG 3.15Å; V881-E885 PolarHBondContact O-N 2.82Å
882P94.2Very high92.5Very high72 Ų7257.1 Ų57.147%0.46829%0.294SS..Hα-helixtrans-65.7-31177.7-21.234.7000113.4Q878 K886Q878-P882 VanDerWaalsContact O-CD 3.3Å; Q878-P882 WeakPolarHBondContact O-CD 3.31Å; Q878-P882 WeakPolarHBondContact O-CG 3.4Å; P882-K886 WeakPolarHBondContact O-CB 3.27Å; P882-K886 PolarHBondContact O-N 2.64Å
883Q92.2Very high91.7Very high88 Ų8857.7 Ų57.741%0.41130%0.296SS..Hα-helixtrans-70.4-43.3177.2-68.2177.914.600111.8V879 L880 V881 I887 F902V879-Q883 VanDerWaalsContact O-CG 3.32Å; V879-Q883 WeakPolarHBondContact O-CG 3.45Å; V879-Q883 PolarHBondContact O-NE2 3.43Å; L880-Q883 PolarHBondContact O-N 3.4Å; V881-Q883 VanDerWaalsContact C-N 3.3Å; V881-Q883 PolarHBondContact O-N 3.12Å; Q883-I887 PolarHBondContact O-N 3.21Å; Q883-F902 HydrophobicContact CB-CE1 4.48Å; Q883-F902 HydrophobicContact CB-CZ 4.42Å
884V92.3Very high91Very high11 Ų1164.3 Ų64.37%0.06734%0.337CS..Hα-helixtrans-69.4-44.8176.3171.30000110.8I577 L880 V881 K886 I887 C888 I899 F902 L903I577-V884 HydrophobicContact CD1-CG2 4.12Å; I577-V884 HydrophobicContact CG2-CG1 4.46Å; L880-V884 WeakPolarHBondContact O-CB 3.31Å; L880-V884 WeakPolarHBondContact O-CG2 3.45Å; L880-V884 PolarHBondContact O-N 3.38Å; V881-V884 PolarHBondContact O-N 2.89Å; V884-K886 VanDerWaalsContact C-N 3.32Å; V884-K886 PolarHBondContact O-N 3.25Å; V884-I887 WeakPolarHBondContact O-CG2 3.42Å; V884-I887 PolarHBondContact O-N 2.89Å; V884-C888 WeakPolarHBondContact O-CB 3.34Å; V884-C888 PolarHBondContact O-N 3.36Å; V884-C888 PolarHBondContact O-SG 3.25Å; V884-I899 HydrophobicContact CG1-CG2 3.75Å; V884-I899 HydrophobicContact CG2-CG2 4.35Å; V884-F902 HydrophobicContact CG2-CD1 4.25Å; V884-F902 HydrophobicContact CG2-CE1 4.09Å; V884-L903 HydrophobicContact CG2-CD2 4.08Å
885E93.2Very high90.5Very high85 Ų8565.3 Ų65.340%0.39734%0.343SS..Hα-helixtrans-60.9-42.1176-72.3173.217100111.3R580 V881 I889R580-E885 IonicContact CZ-OE1 2.89Å; R580-E885 IonicContact NE-OE1 3.86Å; R580-E885 IonicContact NH2-OE1 3.71Å; R580-E885 PolarHBondContact NH2-OE1 2.88Å; V881-E885 VanDerWaalsContact CG1-CD 3.48Å; V881-E885 HydrophobicContact CG1-CG 4.21Å; V881-E885 VanDerWaalsContact CG1-OE1 3.31Å; V881-E885 WeakPolarHBondContact CG1-OE1 3.29Å; V881-E885 WeakPolarHBondContact O-CB 3.3Å; V881-E885 WeakPolarHBondContact O-CG 3.15Å; V881-E885 PolarHBondContact O-N 2.82Å; E885-I889 WeakPolarHBondContact O-CD1 3.4Å; E885-I889 WeakPolarHBondContact O-CG1 2.95Å; E885-I889 PolarHBondContact O-N 3.46Å; E885-I889 VanDerWaalsContact O-N 3.15Å
886K91.6Very high90.1Very high128 Ų12863.1 Ų63.156%0.55734%0.337SS*.Hα-helixtrans-62-49.8173.5179171.9175.4174.90112.6P882 V884 C888 I889 D890P882-K886 WeakPolarHBondContact O-CB 3.27Å; P882-K886 PolarHBondContact O-N 2.64Å; V884-K886 VanDerWaalsContact C-N 3.32Å; V884-K886 PolarHBondContact O-N 3.25Å; K886-C888 VanDerWaalsContact C-N 3.28Å; K886-C888 PolarHBondContact O-N 3.14Å; K886-I889 PolarHBondContact O-N 3.22Å; K886-I889 VanDerWaalsContact O-N 3.11Å; K886-D890 WeakPolarHBondContact CE-OD2 3.45Å; K886-D890 WeakPolarHBondContact CG-OD2 3.39Å; K886-D890 IonicContact NZ-OD2 3.86Å; K886-D890 WeakPolarHBondContact O-CB 3.47Å; K886-D890 PolarHBondContact O-N 2.68Å
887I88.2Confident89.7Confident22 Ų2266.7 Ų66.711%0.11336%0.36CS..Hα-helixtrans-68.1-29.9-176.7-153.6178.5000112.1Q883 V884 K891 L893 F902Q883-I887 PolarHBondContact O-N 3.21Å; V884-I887 WeakPolarHBondContact O-CG2 3.42Å; V884-I887 PolarHBondContact O-N 2.89Å; I887-K891 HydrophobicContact CD1-CD 4.31Å; I887-K891 HydrophobicContact CG1-CD 3.94Å; I887-K891 HydrophobicContact CG1-CG 4.25Å; I887-K891 WeakPolarHBondContact O-CB 3.23Å; I887-K891 PolarHBondContact O-N 3.15Å; I887-L893 HydrophobicContact CD1-CD1 4.33Å; I887-L893 HydrophobicContact CG1-CD1 4.04Å; I887-L893 HydrophobicContact CG2-CD1 4.23Å; I887-F902 HydrophobicContact CD1-CB 4.5Å; I887-F902 HydrophobicContact CD1-CD2 3.57Å; I887-F902 HydrophobicContact CD1-CE2 3.88Å; I887-F902 HydrophobicContact CD1-CG 3.95Å; I887-F902 HydrophobicContact CG2-CD1 4.21Å; I887-F902 HydrophobicContact CG2-CE1 4.38Å; I887-F902 HydrophobicContact CG2-CG 4.49Å
888C89.8Confident89.3Confident34 Ų3471.3 Ų71.323%0.2338%0.381CS..Hα-helixtrans-61.1-43.7169.5-690000112V884 K886 G892 L893V884-C888 WeakPolarHBondContact O-CB 3.34Å; V884-C888 PolarHBondContact O-N 3.36Å; V884-C888 PolarHBondContact O-SG 3.25Å; K886-C888 VanDerWaalsContact C-N 3.28Å; K886-C888 PolarHBondContact O-N 3.14Å; C888-G892 CarbonylContact O-C 3.44Å; C888-G892 WeakPolarHBondContact O-CA 3.34Å; C888-G892 PolarHBondContact O-N 2.72Å; C888-G892 VanDerWaalsContact O-N 3.17Å; C888-L893 PolarHBondContact O-N 2.87Å
889I91Very high89.2Confident135 Ų13566.2 Ų66.269%0.69236%0.357SS*.Hα-helixtrans-69.9-56.3177-65.9163.7000111E885 K886 K891 G892E885-I889 WeakPolarHBondContact O-CD1 3.4Å; E885-I889 WeakPolarHBondContact O-CG1 2.95Å; E885-I889 PolarHBondContact O-N 3.46Å; E885-I889 VanDerWaalsContact O-N 3.15Å; K886-I889 PolarHBondContact O-N 3.22Å; K886-I889 VanDerWaalsContact O-N 3.11Å; I889-K891 PolarHBondContact O-N 2.92Å; I889-K891 VanDerWaalsContact O-N 3.11Å; I889-G892 PolarHBondContact O-N 3.4Å
890D89.5Confident89Confident108 Ų10865.6 Ų65.658%0.57835%0.354SS*.Hα-helixtrans-60.2-26.1-172.3-75.34.5000113.7K886K886-D890 WeakPolarHBondContact CE-OD2 3.45Å; K886-D890 WeakPolarHBondContact CG-OD2 3.39Å; K886-D890 IonicContact NZ-OD2 3.86Å; K886-D890 WeakPolarHBondContact O-CB 3.47Å; K886-D890 PolarHBondContact O-N 2.68Å
891K85.2Confident88.8Confident152 Ų15271.4 Ų71.466%0.66138%0.375SS*.Hα-helixtrans-115.91-177.9-59.5-169.4179.3-177.30114.8I887 I889 L893I887-K891 HydrophobicContact CD1-CD 4.31Å; I887-K891 HydrophobicContact CG1-CD 3.94Å; I887-K891 HydrophobicContact CG1-CG 4.25Å; I887-K891 WeakPolarHBondContact O-CB 3.23Å; I887-K891 PolarHBondContact O-N 3.15Å; I889-K891 PolarHBondContact O-N 2.92Å; I889-K891 VanDerWaalsContact O-N 3.11Å; K891-L893 HydrophobicContact CB-CB 4.28Å; K891-L893 HydrophobicContact CB-CD1 4.06Å; K891-L893 HydrophobicContact CB-CG 4.04Å; K891-L893 HydrophobicContact CD-CD1 4Å; K891-L893 PolarHBondContact O-N 3.46Å
892G82.1Confident88.6Confident57 Ų5773.9 Ų73.959%0.58839%0.385SS*.THydrogen-bonded Turntrans61.530.9-170.500000113C888 I889 T894C888-G892 CarbonylContact O-C 3.44Å; C888-G892 WeakPolarHBondContact O-CA 3.34Å; C888-G892 PolarHBondContact O-N 2.72Å; C888-G892 VanDerWaalsContact O-N 3.17Å; I889-G892 PolarHBondContact O-N 3.4Å; G892-T894 PolarHBondContact O-N 3.48Å
893L79.5Confident88.5Confident20 Ų2070.7 Ų70.711%0.10537%0.365CS..  trans-77.1109.9-166.6-117173000110.9I887 C888 K891 E898I887-L893 HydrophobicContact CD1-CD1 4.33Å; I887-L893 HydrophobicContact CG1-CD1 4.04Å; I887-L893 HydrophobicContact CG2-CD1 4.23Å; C888-L893 PolarHBondContact O-N 2.87Å; K891-L893 HydrophobicContact CB-CB 4.28Å; K891-L893 HydrophobicContact CB-CD1 4.06Å; K891-L893 HydrophobicContact CB-CG 4.04Å; K891-L893 HydrophobicContact CD-CD1 4Å; K891-L893 PolarHBondContact O-N 3.46Å; L893-E898 HydrophobicContact CD2-CB 3.42Å; L893-E898 VanDerWaalsContact CD2-CB 3.42Å; L893-E898 HydrophobicContact CD2-CG 4.35Å; L893-E898 WeakPolarHBondContact CD2-OE2 3.19Å
894T80.5Confident88.4Confident139 Ų13971.2 Ų71.285%0.85337%0.367SS*.  trans-117.2-10.1179.655.70000114.5G892G892-T894 PolarHBondContact O-N 3.48Å
895D85.6Confident88Confident59 Ų5977.6 Ų77.632%0.31640%0.401SS..  trans-81129.2178.917738.6000112.4T897 E898 I899D895-T897 VanDerWaalsContact C-N 3.31Å; D895-T897 VanDerWaalsContact CG-N 3.32Å; D895-T897 VanDerWaalsContact CG-OG1 3.22Å; D895-T897 PolarHBondContact O-N 2.93Å; D895-T897 PolarHBondContact OD1-N 2.98Å; D895-T897 VanDerWaalsContact OD1-N 3.11Å; D895-T897 PolarHBondContact OD1-OG1 3.08Å; D895-T897 WeakPolarHBondContact OD2-CA 3.4Å; D895-T897 WeakPolarHBondContact OD2-CB 3.26Å; D895-T897 PolarHBondContact OD2-N 2.99Å; D895-T897 PolarHBondContact OD2-OG1 3.49Å; D895-E898 HydrophobicContact CB-CB 4.31Å; D895-E898 HydrophobicContact CB-CG 4.35Å; D895-E898 PolarHBondContact O-N 2.83Å; D895-E898 PolarHBondContact OD2-N 3.34Å; D895-I899 WeakPolarHBondContact O-CG1 3.22Å; D895-I899 PolarHBondContact O-N 3.42Å
896E87Confident87.5Confident57 Ų5775 Ų7527%0.26640%0.396SS..Hα-helixtrans-63-37174.5179.9158.7138.200111.4M522 Y574 R578 E898 I899 V900M522-E896 HydrophobicContact CE-CG 4.45Å; M522-E896 WeakPolarHBondContact CE-OE1 3.47Å; Y574-E896 HydrophobicContact CD1-CG 4.19Å; Y574-E896 HydrophobicContact CE1-CG 3.53Å; Y574-E896 VanDerWaalsContact CE1-OE2 3.28Å; Y574-E896 WeakPolarHBondContact CE1-OE2 3.17Å; Y574-E896 HydrophobicContact CE2-CG 4.28Å; Y574-E896 PolarHBondContact OH-OE2 3.38Å; Y574-E896 VanDerWaalsContact OH-OE2 3.08Å; R578-E896 IonicContact CZ-OE2 3.49Å; R578-E896 IonicContact NH1-OE1 3.52Å; R578-E896 IonicContact NH1-OE2 2.64Å; R578-E896 PolarHBondContact NH1-OE2 3.26Å; E896-E898 PolarHBondContact O-N 2.82Å; E896-I899 PolarHBondContact O-N 3.36Å; E896-V900 WeakPolarHBondContact O-CG2 3.44Å; E896-V900 PolarHBondContact O-N 3.1Å
897T88.1Confident87.2Confident76 Ų7673.2 Ų73.247%0.46640%0.396SS..Hα-helixtrans-66.1-39179.4-4.90000112.6D895 V900 R901D895-T897 VanDerWaalsContact C-N 3.31Å; D895-T897 VanDerWaalsContact CG-N 3.32Å; D895-T897 VanDerWaalsContact CG-OG1 3.22Å; D895-T897 PolarHBondContact O-N 2.93Å; D895-T897 PolarHBondContact OD1-N 2.98Å; D895-T897 VanDerWaalsContact OD1-N 3.11Å; D895-T897 PolarHBondContact OD1-OG1 3.08Å; D895-T897 WeakPolarHBondContact OD2-CA 3.4Å; D895-T897 WeakPolarHBondContact OD2-CB 3.26Å; D895-T897 PolarHBondContact OD2-N 2.99Å; D895-T897 PolarHBondContact OD2-OG1 3.49Å; T897-V900 PolarHBondContact O-N 3.41Å; T897-R901 WeakPolarHBondContact O-CG 3.36Å; T897-R901 PolarHBondContact O-N 3.06Å
898E88.4Confident87Confident97 Ų9772.6 Ų72.645%0.45339%0.393SS..Hα-helixtrans-71.1-36176.6-72-173.3153.100113.6L893 D895 E896 V900 R901 F902L893-E898 HydrophobicContact CD2-CB 3.42Å; L893-E898 VanDerWaalsContact CD2-CB 3.42Å; L893-E898 HydrophobicContact CD2-CG 4.35Å; L893-E898 WeakPolarHBondContact CD2-OE2 3.19Å; D895-E898 HydrophobicContact CB-CB 4.31Å; D895-E898 HydrophobicContact CB-CG 4.35Å; D895-E898 PolarHBondContact O-N 2.83Å; D895-E898 PolarHBondContact OD2-N 3.34Å; E896-E898 PolarHBondContact O-N 2.82Å; E898-V900 VanDerWaalsContact C-N 3.33Å; E898-R901 VanDerWaalsContact CG-NH1 3.25Å; E898-R901 PolarHBondContact O-N 2.92Å; E898-F902 PolarHBondContact O-N 3.49Å
899I90.7Very high86.4Confident13 Ų1377.2 Ų77.27%0.06742%0.42CS..Hα-helixtrans-65.4-39.9172.5-58.5164.7000110.3Y574 V884 D895 E896 F902 L903Y574-I899 HydrophobicContact CD2-CB 4.2Å; Y574-I899 HydrophobicContact CD2-CG2 3.68Å; Y574-I899 HydrophobicContact CE2-CB 4.01Å; Y574-I899 HydrophobicContact CE2-CD1 4.13Å; Y574-I899 HydrophobicContact CE2-CG2 3.76Å; V884-I899 HydrophobicContact CG1-CG2 3.75Å; V884-I899 HydrophobicContact CG2-CG2 4.35Å; D895-I899 WeakPolarHBondContact O-CG1 3.22Å; D895-I899 PolarHBondContact O-N 3.42Å; E896-I899 PolarHBondContact O-N 3.36Å; I899-F902 WeakPolarHBondContact O-CB 3.3Å; I899-F902 PolarHBondContact O-N 3.25Å; I899-L903 HydrophobicContact CG2-CD1 4.35Å; I899-L903 WeakPolarHBondContact O-CG 3.48Å; I899-L903 PolarHBondContact O-N 2.75Å
900V91.5Very high86Confident9 Ų974.6 Ų74.66%0.05543%0.426CS..Hα-helixtrans-63.3-41173.9168.90000111.5M522 Y574 E896 T897 E898 F902 L903 Q904M522-V900 HydrophobicContact CE-CG2 3.91Å; Y574-V900 HydrophobicContact CD1-CG2 4.44Å; Y574-V900 HydrophobicContact CD2-CG2 4.28Å; Y574-V900 HydrophobicContact CG-CG2 3.95Å; E896-V900 WeakPolarHBondContact O-CG2 3.44Å; E896-V900 PolarHBondContact O-N 3.1Å; T897-V900 PolarHBondContact O-N 3.41Å; E898-V900 VanDerWaalsContact C-N 3.33Å; V900-F902 PolarHBondContact O-N 2.63Å; V900-L903 PolarHBondContact O-N 3.35Å; V900-Q904 WeakPolarHBondContact O-CG 3.48Å; V900-Q904 PolarHBondContact O-N 3.01Å
901R89.9Confident85.9Confident127 Ų12772.6 Ų72.648%0.47942%0.415SS..Hα-helixtrans-62.1-38.3172.6-72.5178.2-164.3121.24.6112.9T897 E898 Q904 N905T897-R901 WeakPolarHBondContact O-CG 3.36Å; T897-R901 PolarHBondContact O-N 3.06Å; E898-R901 VanDerWaalsContact CG-NH1 3.25Å; E898-R901 PolarHBondContact O-N 2.92Å; R901-Q904 PolarHBondContact O-N 2.95Å; R901-N905 PolarHBondContact O-N 3.4Å; R901-N905 PolarHBondContact O-ND2 3.32Å
902F89.7Confident86.1Confident62 Ų6267 Ų6727%0.27239%0.392SS..Hα-helixtrans-61.1-46173.7168.1-108.4000111Q883 V884 I887 E898 I899 V900 Q904 N905 G906Q883-F902 HydrophobicContact CB-CE1 4.48Å; Q883-F902 HydrophobicContact CB-CZ 4.42Å; V884-F902 HydrophobicContact CG2-CD1 4.25Å; V884-F902 HydrophobicContact CG2-CE1 4.09Å; I887-F902 HydrophobicContact CD1-CB 4.5Å; I887-F902 HydrophobicContact CD1-CD2 3.57Å; I887-F902 HydrophobicContact CD1-CE2 3.88Å; I887-F902 HydrophobicContact CD1-CG 3.95Å; I887-F902 HydrophobicContact CG2-CD1 4.21Å; I887-F902 HydrophobicContact CG2-CE1 4.38Å; I887-F902 HydrophobicContact CG2-CG 4.49Å; E898-F902 PolarHBondContact O-N 3.49Å; I899-F902 WeakPolarHBondContact O-CB 3.3Å; I899-F902 PolarHBondContact O-N 3.25Å; V900-F902 PolarHBondContact O-N 2.63Å; F902-Q904 VanDerWaalsContact C-N 3.31Å; F902-Q904 PolarHBondContact O-N 3.43Å; F902-N905 PolarHBondContact O-N 3.09Å; F902-N905 VanDerWaalsContact O-N 3.16Å; F902-G906 PolarHBondContact O-N 3.28Å
903L91.8Very high86.5Confident6 Ų665.5 Ų65.53%0.03137%0.372CS..Hα-helixtrans-65.7-29.4178.4-68.6168.9000113.4V573 Y574 I577 L880 V884 I899 V900 N905 G906V573-L903 HydrophobicContact CG1-CD1 4.31Å; V573-L903 HydrophobicContact CG1-CD2 4.1Å; Y574-L903 HydrophobicContact CD2-CD1 4.27Å; I577-L903 HydrophobicContact CD1-CD1 4.29Å; I577-L903 HydrophobicContact CD1-CD2 4.12Å; L880-L903 HydrophobicContact CD1-CD2 4.03Å; V884-L903 HydrophobicContact CG2-CD2 4.08Å; I899-L903 HydrophobicContact CG2-CD1 4.35Å; I899-L903 WeakPolarHBondContact O-CG 3.48Å; I899-L903 PolarHBondContact O-N 2.75Å; V900-L903 PolarHBondContact O-N 3.35Å; L903-N905 VanDerWaalsContact C-N 3.27Å; L903-N905 PolarHBondContact O-N 3.06Å; L903-G906 PolarHBondContact O-N 3.29Å
904Q89.9Confident87Confident99 Ų9970.8 Ų70.846%0.46341%0.405SS..Hα-helixtrans-65.8-27.1173.5-73.2167-0.400113.5S570 V900 R901 F902S570-Q904 WeakPolarHBondContact OG-CG 3.33Å; S570-Q904 PolarHBondContact OG-NE2 3.42Å; V900-Q904 WeakPolarHBondContact O-CG 3.48Å; V900-Q904 PolarHBondContact O-N 3.01Å; R901-Q904 PolarHBondContact O-N 2.95Å; F902-Q904 VanDerWaalsContact C-N 3.31Å; F902-Q904 PolarHBondContact O-N 3.43Å
905N85.7Confident87.4Confident145 Ų14567.2 Ų67.278%0.77538%0.384SS*.THydrogen-bonded Turntrans-97.4-1.3178.8-63.6-36.9000112.8R901 F902 L903R901-N905 PolarHBondContact O-N 3.4Å; R901-N905 PolarHBondContact O-ND2 3.32Å; F902-N905 PolarHBondContact O-N 3.09Å; F902-N905 VanDerWaalsContact O-N 3.16Å; L903-N905 VanDerWaalsContact C-N 3.27Å; L903-N905 PolarHBondContact O-N 3.06Å
906G82.6Confident87.7Confident29 Ų2967 Ų6730%0.29938%0.381SS..  trans-79.8157.9176.600000112.2F902 L903F902-G906 PolarHBondContact O-N 3.28Å; L903-G906 PolarHBondContact O-N 3.29Å
907T84.3Confident87.9Confident91 Ų9168.8 Ų68.856%0.55840%0.398SS*.  trans-134.3149.4169.6-173.40000110.7V909T907-V909 WeakPolarHBondContact OG1-CG2 3.42Å; T907-V909 PolarHBondContact OG1-N 3.11Å
908L83.7Confident88.1Confident10 Ų1068 Ų685%0.05239%0.39CS..  trans-11910.4178.1-64179.3000113.2F566 L876 V879 L880 G910 L911 L912F566-L908 HydrophobicContact CD1-CD1 4.49Å; F566-L908 HydrophobicContact CD1-CG 4.48Å; F566-L908 HydrophobicContact CD2-CD1 3.54Å; F566-L908 HydrophobicContact CD2-CG 4.34Å; F566-L908 HydrophobicContact CE1-CD1 4.3Å; F566-L908 HydrophobicContact CE1-CG 4.1Å; F566-L908 HydrophobicContact CE2-CD1 3.28Å; F566-L908 HydrophobicContact CE2-CG 3.93Å; F566-L908 HydrophobicContact CG-CD1 4.16Å; F566-L908 HydrophobicContact CZ-CD1 3.72Å; F566-L908 HydrophobicContact CZ-CG 3.81Å; L876-L908 HydrophobicContact CD1-CD1 3.33Å; V879-L908 HydrophobicContact CG1-CD2 3.98Å; L880-L908 HydrophobicContact CD1-CD1 4.41Å; L880-L908 HydrophobicContact CD1-CD2 4.41Å; L880-L908 HydrophobicContact CD2-CD2 4.03Å; L880-L908 HydrophobicContact CG-CD2 4.17Å; L908-G910 PolarHBondContact O-N 3.34Å; L908-L911 HydrophobicContact CD2-CD1 4.32Å; L908-L911 PolarHBondContact O-N 3.16Å; L908-L912 HydrophobicContact CB-CD1 3.96Å; L908-L912 HydrophobicContact CB-CG 4.01Å; L908-L912 HydrophobicContact CD1-CD1 3.96Å; L908-L912 HydrophobicContact CD1-CD2 4.32Å; L908-L912 HydrophobicContact CD1-CG 4.17Å; L908-L912 PolarHBondContact O-N 3.44Å
909V77.2Confident88.3Confident131 Ų13166.6 Ų66.679%0.79439%0.385SS*.THydrogen-bonded Turntrans-56.5124.6176.11750000109.4T907 L911T907-V909 WeakPolarHBondContact OG1-CG2 3.42Å; T907-V909 PolarHBondContact OG1-N 3.11Å; V909-L911 VanDerWaalsContact C-N 3.27Å; V909-L911 PolarHBondContact O-N 3.23Å
910G82.5Confident88.4Confident79 Ų7968.6 Ų68.681%0.81440%0.396SS*.THydrogen-bonded Turntrans76.8-1-17600000116L908L908-G910 PolarHBondContact O-N 3.34Å
911L87.8Confident88.5Confident67 Ų6771.1 Ų71.135%0.35140%0.404SS..THydrogen-bonded Turntrans-104.6-27.7-180-59.7-178.1000113.8R875 V879 L908 V909R875-L911 WeakPolarHBondContact CG-O 3.19Å; R875-L911 PolarHBondContact NE-O 3.28Å; V879-L911 HydrophobicContact CG1-CD1 3.86Å; V879-L911 HydrophobicContact CG2-CB 4.48Å; L908-L911 HydrophobicContact CD2-CD1 4.32Å; L908-L911 PolarHBondContact O-N 3.16Å; V909-L911 VanDerWaalsContact C-N 3.27Å; V909-L911 PolarHBondContact O-N 3.23Å
912L90.3Very high88.5Confident35 Ų3570 Ų7018%0.18340%0.402CS..SBendtrans-83.6161.1175.2-71.2172.9000112.5I562 T872 R875 L876 L908I562-L912 HydrophobicContact CG2-CD1 3.77Å; I562-L912 HydrophobicContact CG2-CD2 4.12Å; T872-L912 HydrophobicContact CG2-CD2 4.05Å; R875-L912 HydrophobicContact CG-CD2 4.49Å; L876-L912 HydrophobicContact CB-CD2 4.45Å; L908-L912 HydrophobicContact CB-CD1 3.96Å; L908-L912 HydrophobicContact CB-CG 4.01Å; L908-L912 HydrophobicContact CD1-CD1 3.96Å; L908-L912 HydrophobicContact CD1-CD2 4.32Å; L908-L912 HydrophobicContact CD1-CG 4.17Å; L908-L912 PolarHBondContact O-N 3.44Å
913P90.4Very high88.4Confident24 Ų2468.3 Ų68.316%0.15640%0.395CS..PPolyproline II helixtrans-62.7163.7168.7-16.431.2000111.8Q563 Q871Q563-P913 PolarHBondContact NE2-O 3.49Å; Q871-P913 HydrophobicContact CB-CG 4.31Å; Q871-P913 HydrophobicContact CG-CB 4.36Å; Q871-P913 HydrophobicContact CG-CG 3.73Å
914V89.2Confident88Confident132 Ų13273 Ų7380%0.842%0.416SS*.PPolyproline II helixtrans-52.5130.7170.4-179.90000109.8H916V914-H916 PolarHBondContact O-N 2.82Å
915P89.1Confident87.4Confident64 Ų6472.1 Ų72.142%0.41642%0.421SS..PPolyproline II helixtrans-56.4127.4179-28.535.9000113Q563 Y564Q563-P915 HydrophobicContact CB-CB 4.28Å; Q563-P915 HydrophobicContact CG-CB 4.44Å; Y564-P915 HydrophobicContact CE1-CB 4.18Å
916H91.1Very high87.3Confident53 Ų5366.6 Ų66.625%0.24539%0.392CS..PPolyproline II helixtrans-68.4147.8172.460.8-76.4000110.3N560 Y564 V914N560-H916 PolarHBondContact OD1-NE2 3.37Å; Y564-H916 PolarHBondContact OH-O 3.11Å; V914-H916 PolarHBondContact O-N 2.82Å
917P92.9Very high87.3Confident96 Ų9668.7 Ų68.762%0.62340%0.399SS*.PPolyproline II helixtrans-59.9141.2179.8-24.634.6000113.5L919P917-L919 PolarHBondContact O-N 2.97Å
918I92.6Very high87.2Confident60 Ų6065.6 Ų65.631%0.30839%0.385SS..PPolyproline II helixtrans-67.1121.2173.6-62.5172.2000110.1P515 Y564 I920P515-I918 HydrophobicContact CB-CD1 3.73Å; P515-I918 HydrophobicContact CB-CG1 4.05Å; P515-I918 HydrophobicContact CB-CG2 4.27Å; P515-I918 HydrophobicContact CG-CD1 4.26Å; P515-I918 HydrophobicContact CG-CG1 4.16Å; P515-I918 HydrophobicContact CG-CG2 3.61Å; Y564-I918 HydrophobicContact CD2-CD1 4.21Å; Y564-I918 HydrophobicContact CD2-CG1 4.04Å; Y564-I918 HydrophobicContact CE1-CD1 4.34Å; Y564-I918 HydrophobicContact CE1-CG1 4.45Å; Y564-I918 HydrophobicContact CE2-CD1 3.88Å; Y564-I918 HydrophobicContact CE2-CG1 3.33Å; I918-I920 HydrophobicContact CG2-CD1 3.53Å; I918-I920 HydrophobicContact CG2-CG1 3.87Å
919L92.2Very high87.2Confident67 Ų6765.2 Ų65.235%0.35138%0.383SS..  trans-10195.2178.7-59.4-178000111.6P917 R921P917-L919 PolarHBondContact O-N 2.97Å; L919-R921 PolarHBondContact O-NH1 3.18Å; L919-R921 VanDerWaalsContact O-NH1 3.15Å
920I92.9Very high87.6Confident55 Ų5559.2 Ų59.228%0.28235%0.347SS..  trans-88.4114.2176.2-55.4-57000111G453 N512 Y516 I918 K922G453-I920 VanDerWaalsContact O-CG2 3.27Å; G453-I920 WeakPolarHBondContact O-CG2 3.43Å; N512-I920 WeakPolarHBondContact O-CD1 3.44Å; Y516-I920 HydrophobicContact CE2-CD1 4.29Å; I918-I920 HydrophobicContact CG2-CD1 3.53Å; I918-I920 HydrophobicContact CG2-CG1 3.87Å; I920-K922 HydrophobicContact CG2-CG 4.01Å; I920-K922 PolarHBondContact O-N 3.15Å
921R92.8Very high87.8Confident62 Ų6257 Ų5723%0.23432%0.316CS..  trans-89.283.1176.9-63.6162.1-177.580.8-7.8109.6T508 N512 E556 T725 L919T508-R921 HydrophobicContact CG2-CB 3.74Å; T508-R921 HydrophobicContact CG2-CG 4.32Å; N512-R921 PolarHBondContact ND2-O 3.18Å; N512-R921 WeakPolarHBondContact OD1-CB 3.36Å; N512-R921 PolarHBondContact OD1-N 2.94Å; E556-R921 IonicContact OE1-CZ 3.2Å; E556-R921 IonicContact OE1-NH1 2.83Å; E556-R921 PolarHBondContact OE1-NH1 3.32Å; E556-R921 IonicContact OE1-NH2 3.32Å; E556-R921 IonicContact OE2-CZ 2.82Å; E556-R921 IonicContact OE2-NH1 4Å; E556-R921 PolarHBondContact OE2-NH1 2.95Å; E556-R921 IonicContact OE2-NH2 3.72Å; E556-R921 PolarHBondContact OE2-NH2 2.96Å; T725-R921 HydrophobicContact CG2-CB 4.35Å; L919-R921 PolarHBondContact O-NH1 3.18Å; L919-R921 VanDerWaalsContact O-NH1 3.15Å
922K89.1Confident87.9Confident102 Ų10253.8 Ų53.844%0.44330%0.299SS..  trans-66.7144173.7-57.7-160.4-177.7-162.50110.8G453 E454 T725 G726 I920G453-K922 WeakPolarHBondContact O-CE 3.34Å; E454-K922 IonicContact OE1-NZ 3.46Å; E454-K922 PolarHBondContact OE1-NZ 2.71Å; E454-K922 IonicContact OE2-NZ 2.72Å; E454-K922 PolarHBondContact OE2-NZ 2.68Å; T725-K922 WeakPolarHBondContact CA-O 3.5Å; G726-K922 PolarHBondContact N-O 3.42Å; I920-K922 HydrophobicContact CG2-CG 4.01Å; I920-K922 PolarHBondContact O-N 3.15Å
923Y88Confident87.8Confident28 Ų2852.2 Ų52.211%0.1129%0.291CS..BIsolated β-bridgetrans-58.6145.8169.4172.3-101.3000111.1W398 L449 L450 M724 S925 T929W398-Y923 AromaticContact CH2-CD1 3.75Å; W398-Y923 HydrophobicContact CH2-CD1 3.75Å; W398-Y923 HydrophobicContact CH2-CD2 4.13Å; W398-Y923 AromaticContact CH2-CE1 3.39Å; W398-Y923 HydrophobicContact CH2-CE1 3.39Å; W398-Y923 AromaticContact CH2-CE2 3.82Å; W398-Y923 HydrophobicContact CH2-CE2 3.82Å; W398-Y923 HydrophobicContact CH2-CG 4.1Å; W398-Y923 AromaticContact CH2-CZ 3.43Å; W398-Y923 VanDerWaalsContact CH2-CZ 3.43Å; W398-Y923 HydrophobicContact CZ2-CD1 4.18Å; W398-Y923 AromaticContact CZ2-CE1 3.41Å; W398-Y923 HydrophobicContact CZ2-CE1 3.41Å; W398-Y923 VanDerWaalsContact CZ2-CE1 3.41Å; W398-Y923 HydrophobicContact CZ2-CE2 4.26Å; W398-Y923 AromaticContact CZ2-CZ 3.45Å; W398-Y923 VanDerWaalsContact CZ2-CZ 3.45Å; W398-Y923 WeakPolarHBondContact CZ2-OH 3.33Å; L449-Y923 HydrophobicContact CD2-CD2 4.31Å; L450-Y923 HydrophobicContact CD1-CD1 4.05Å; L450-Y923 HydrophobicContact CD1-CG 4.45Å; M724-Y923 HydrophobicContact CB-CD2 4.35Å; M724-Y923 HydrophobicContact CB-CE2 4.22Å; M724-Y923 HydrophobicContact CE-CE2 3.89Å; M724-Y923 CarbonylContact O-C 3.6Å; M724-Y923 WeakPolarHBondContact O-CA 3.41Å; M724-Y923 WeakPolarHBondContact O-CD2 3.39Å; Y923-S925 WeakPolarHBondContact OH-CA 3.32Å; Y923-T929 HydrophobicContact CE2-CG2 4.38Å; Y923-T929 VanDerWaalsContact OH-CG2 3.28Å; Y923-T929 WeakPolarHBondContact OH-CG2 3.48Å
924Q83.4Confident87.9Confident104 Ų10452 Ų5249%0.48629%0.287SS..  trans-129.2127.6168.8-71.3-166.7-23.400110.3M724 G726 N926M724-Q924 PolarHBondContact O-N 3.11Å; G726-Q924 VanDerWaalsContact CA-CD 3.43Å; Q924-N926 PolarHBondContact O-ND2 2.89Å
925S78.6Confident88Confident81 Ų8145.8 Ų45.857%0.56625%0.249SC*.  trans-63.2139.9172.146.50000110.6E402 Y923E402-S925 WeakPolarHBondContact OE1-CB 3.4Å; Y923-S925 WeakPolarHBondContact OH-CA 3.32Å
926N82.9Confident88.2Confident29 Ų2943.4 Ų43.416%0.15523%0.232CC..  trans-155.1148.9-173.86388.3000108.7K723 Q924 G928 T929 T930K723-N926 WeakPolarHBondContact O-CB 3.46Å; K723-N926 PolarHBondContact O-ND2 2.87Å; Q924-N926 PolarHBondContact O-ND2 2.89Å; N926-G928 VanDerWaalsContact C-N 3.32Å; N926-G928 PolarHBondContact O-N 2.94Å; N926-T929 PolarHBondContact ND2-OG1 3.47Å; N926-T929 WeakPolarHBondContact O-CB 3.39Å; N926-T929 PolarHBondContact O-N 3.35Å; N926-T929 PolarHBondContact OD1-N 3.3Å; N926-T929 PolarHBondContact OD1-OG1 2.92Å; N926-T930 PolarHBondContact O-N 2.98Å
927T81.4Confident88.3Confident73 Ų7341 Ų4145%0.44822%0.22SC..Hα-helixtrans-50.7-46.2-170.8-41.50000113.9H223 T929 T930 I931H223-T927 WeakPolarHBondContact CE1-CG2 3.47Å; H223-T927 WeakPolarHBondContact NE2-CG2 3.37Å; T927-T929 VanDerWaalsContact C-N 3.28Å; T927-T929 PolarHBondContact O-N 2.91Å; T927-T930 PolarHBondContact O-N 3.46Å; T927-I931 HydrophobicContact CG2-CD1 4.24Å; T927-I931 WeakPolarHBondContact O-CG1 3.32Å; T927-I931 PolarHBondContact O-N 3.45Å
928G83.6Confident88.4Confident26 Ų2636.6 Ų36.627%0.26819%0.192SC..Hα-helixtrans-66.3-28.6-179.200000113.4P719 N926 W932P719-G928 VanDerWaalsContact CG-C 3.43Å; N926-G928 VanDerWaalsContact C-N 3.32Å; N926-G928 PolarHBondContact O-N 2.94Å; G928-W932 VanDerWaalsContact O-CB 3.25Å; G928-W932 WeakPolarHBondContact O-CB 3.36Å; G928-W932 PolarHBondContact O-N 2.98Å
929T83.6Confident88.4Confident1 Ų133.9 Ų33.91%0.00618%0.178CC..Hα-helixtrans-73.8-34.6175.8-54.40000110.8M724 Y923 N926 T927 W932 F933M724-T929 HydrophobicContact CE-CG2 3.76Å; Y923-T929 HydrophobicContact CE2-CG2 4.38Å; Y923-T929 VanDerWaalsContact OH-CG2 3.28Å; Y923-T929 WeakPolarHBondContact OH-CG2 3.48Å; N926-T929 PolarHBondContact ND2-OG1 3.47Å; N926-T929 WeakPolarHBondContact O-CB 3.39Å; N926-T929 PolarHBondContact O-N 3.35Å; N926-T929 PolarHBondContact OD1-N 3.3Å; N926-T929 PolarHBondContact OD1-OG1 2.92Å; T927-T929 VanDerWaalsContact C-N 3.28Å; T927-T929 PolarHBondContact O-N 2.91Å; T929-W932 PolarHBondContact O-N 3.4Å; T929-F933 HydrophobicContact CG2-CD2 3.84Å; T929-F933 HydrophobicContact CG2-CE2 3.94Å; T929-F933 WeakPolarHBondContact O-CB 3.19Å; T929-F933 WeakPolarHBondContact O-CD2 3.19Å; T929-F933 PolarHBondContact O-N 2.89Å
930T85.3Confident88.4Confident6 Ų630.9 Ų30.94%0.03716%0.163CC..Hα-helixtrans-67-47.8172.3-39.80000111.8E289 H292 N926 T927 W932 F933 R934E289-T930 VanDerWaalsContact OE1-CG2 3.24Å; E289-T930 WeakPolarHBondContact OE1-CG2 3.29Å; H292-T930 PolarHBondContact CE1-OG1 3.02Å; H292-T930 WeakPolarHBondContact NE2-CB 3.35Å; H292-T930 WeakPolarHBondContact NE2-CG2 3.31Å; H292-T930 PolarHBondContact NE2-OG1 3.3Å; N926-T930 PolarHBondContact O-N 2.98Å; T927-T930 PolarHBondContact O-N 3.46Å; T930-W932 PolarHBondContact O-N 3.37Å; T930-F933 PolarHBondContact O-N 2.79Å; T930-F933 VanDerWaalsContact O-N 3.14Å; T930-R934 WeakPolarHBondContact O-CB 3.32Å; T930-R934 PolarHBondContact O-N 3.33Å
931I86.5Confident88.5Confident31 Ų3128.2 Ų28.216%0.15915%0.149CC..Hα-helixtrans-54.1-45.7175.4-64.8166.6000109.8H223 A716 T927 R934 N935H223-I931 HydrophobicContact CB-CD1 4.09Å; H223-I931 HydrophobicContact CB-CG1 4.14Å; A716-I931 HydrophobicContact CB-CG2 4.4Å; T927-I931 HydrophobicContact CG2-CD1 4.24Å; T927-I931 WeakPolarHBondContact O-CG1 3.32Å; T927-I931 PolarHBondContact O-N 3.45Å; I931-R934 PolarHBondContact O-N 3.43Å; I931-N935 WeakPolarHBondContact O-CB 3.41Å; I931-N935 VanDerWaalsContact O-CG 3.25Å; I931-N935 PolarHBondContact O-N 2.82Å; I931-N935 PolarHBondContact O-OD1 3.37Å; I931-N935 VanDerWaalsContact O-OD1 3.07Å
932W89.1Confident88.6Confident1 Ų126 Ų260%0.00414%0.141CC..Hα-helixtrans-60.3-49.8176.4-176.389.1000112.9H442 V443 F446 L715 V718 G928 T929 T930 R934 N935 Y936H442-W932 HydrophobicContact CB-CH2 3.43Å; H442-W932 VanDerWaalsContact CB-CH2 3.43Å; H442-W932 HydrophobicContact CB-CZ2 3.39Å; H442-W932 HydrophobicContact CB-CZ3 4.35Å; H442-W932 AromaticContact CG-CZ2 3.95Å; V443-W932 HydrophobicContact CG2-CH2 3.7Å; V443-W932 HydrophobicContact CG2-CZ3 3.7Å; F446-W932 HydrophobicContact CD2-CE3 4.43Å; F446-W932 HydrophobicContact CD2-CZ3 4.16Å; F446-W932 HydrophobicContact CE2-CD2 4.3Å; F446-W932 AromaticContact CE2-CE3 3.81Å; F446-W932 HydrophobicContact CE2-CE3 3.81Å; F446-W932 HydrophobicContact CE2-CH2 4.27Å; F446-W932 AromaticContact CE2-CZ3 3.8Å; F446-W932 HydrophobicContact CE2-CZ3 3.8Å; L715-W932 HydrophobicContact CD1-CZ2 4.32Å; L715-W932 HydrophobicContact CD2-CZ2 4.23Å; V718-W932 HydrophobicContact CG2-CD2 4.47Å; V718-W932 HydrophobicContact CG2-CG 4.23Å; V718-W932 VanDerWaalsContact CG2-NE1 3.31Å; G928-W932 VanDerWaalsContact O-CB 3.25Å; G928-W932 WeakPolarHBondContact O-CB 3.36Å; G928-W932 PolarHBondContact O-N 2.98Å; T929-W932 PolarHBondContact O-N 3.4Å; T930-W932 PolarHBondContact O-N 3.37Å; W932-R934 VanDerWaalsContact C-N 3.31Å; W932-R934 PolarHBondContact O-N 2.86Å; W932-N935 PolarHBondContact O-N 2.79Å; W932-Y936 HydrophobicContact CH2-CD1 4.07Å; W932-Y936 HydrophobicContact CH2-CG 4.05Å; W932-Y936 HydrophobicContact CZ2-CG 4.45Å; W932-Y936 HydrophobicContact CZ3-CD1 4.25Å; W932-Y936 HydrophobicContact CZ3-CG 4.46Å; W932-Y936 WeakPolarHBondContact O-CB 3.39Å; W932-Y936 PolarHBondContact O-N 3.04Å
933F90.1Very high88.7Confident2 Ų224.3 Ų24.31%0.00914%0.136CC..Hα-helixtrans-60.8-39.3178.8-99-74.4000112.4V395 W398 V443 F446 T929 T930 L937V395-F933 HydrophobicContact CG2-CD1 4.31Å; V395-F933 HydrophobicContact CG2-CE1 4.35Å; W398-F933 HydrophobicContact CB-CE1 4.42Å; W398-F933 HydrophobicContact CB-CZ 4.4Å; W398-F933 AromaticContact CD1-CZ 3.94Å; W398-F933 HydrophobicContact CD2-CE1 4.34Å; W398-F933 AromaticContact CD2-CE2 3.87Å; W398-F933 HydrophobicContact CD2-CE2 3.87Å; W398-F933 AromaticContact CD2-CZ 3.52Å; W398-F933 HydrophobicContact CD2-CZ 3.52Å; W398-F933 AromaticContact CE2-CE2 3.57Å; W398-F933 AromaticContact CE2-CZ 3.75Å; W398-F933 HydrophobicContact CE3-CE2 4.39Å; W398-F933 AromaticContact CE3-CZ 3.95Å; W398-F933 HydrophobicContact CE3-CZ 3.95Å; W398-F933 HydrophobicContact CG-CE1 4.04Å; W398-F933 HydrophobicContact CG-CE2 4.27Å; W398-F933 AromaticContact CG-CZ 3.69Å; W398-F933 HydrophobicContact CG-CZ 3.69Å; W398-F933 HydrophobicContact CH2-CE2 4.36Å; W398-F933 AromaticContact CZ2-CE2 3.84Å; W398-F933 HydrophobicContact CZ2-CE2 3.84Å; W398-F933 HydrophobicContact CZ2-CZ 4.34Å; W398-F933 AromaticContact NE1-CE2 3.82Å; V443-F933 HydrophobicContact CB-CE1 4.37Å; V443-F933 HydrophobicContact CG1-CE1 4.05Å; V443-F933 HydrophobicContact CG1-CZ 4.42Å; V443-F933 HydrophobicContact CG2-CD1 4.24Å; V443-F933 HydrophobicContact CG2-CE1 3.56Å; V443-F933 HydrophobicContact CG2-CZ 4.15Å; F446-F933 AromaticContact CD2-CE2 3.95Å; F446-F933 HydrophobicContact CD2-CE2 3.95Å; F446-F933 HydrophobicContact CD2-CZ 4.16Å; T929-F933 HydrophobicContact CG2-CD2 3.84Å; T929-F933 HydrophobicContact CG2-CE2 3.94Å; T929-F933 WeakPolarHBondContact O-CB 3.19Å; T929-F933 WeakPolarHBondContact O-CD2 3.19Å; T929-F933 PolarHBondContact O-N 2.89Å; T930-F933 PolarHBondContact O-N 2.79Å; T930-F933 VanDerWaalsContact O-N 3.14Å; F933-L937 VanDerWaalsContact O-CB 3.28Å; F933-L937 WeakPolarHBondContact O-CB 3.38Å; F933-L937 PolarHBondContact O-N 3.15Å
934R91.2Very high88.8Confident20 Ų2025.2 Ų25.28%0.07514%0.14CC..Hα-helixtrans-69.1-44.8179.5-174.4-179.465.5-168.11.7112.4A222 H223 E289 T930 I931 W932 Y936 L937 W938A222-R934 VanDerWaalsContact O-CZ 3.28Å; A222-R934 PolarHBondContact O-NH1 3.18Å; A222-R934 PolarHBondContact O-NH2 3.26Å; H223-R934 VanDerWaalsContact N-NH2 3.12Å; E289-R934 WeakPolarHBondContact OE2-CD 3.42Å; E289-R934 WeakPolarHBondContact OE2-CG 3.38Å; T930-R934 WeakPolarHBondContact O-CB 3.32Å; T930-R934 PolarHBondContact O-N 3.33Å; I931-R934 PolarHBondContact O-N 3.43Å; W932-R934 VanDerWaalsContact C-N 3.31Å; W932-R934 PolarHBondContact O-N 2.86Å; R934-Y936 VanDerWaalsContact C-N 3.32Å; R934-L937 PolarHBondContact O-N 3.02Å; R934-W938 PolarHBondContact O-N 3.25Å
935N91.6Very high89.2Confident0 Ų020.9 Ų20.90%012%0.12CC..Hα-helixtrans-65.9-39.3177.6-65.918.5000110.5Q219 I931 W932 G939 L958Q219-N935 PolarHBondContact NE2-ND2 3.41Å; I931-N935 WeakPolarHBondContact O-CB 3.41Å; I931-N935 VanDerWaalsContact O-CG 3.25Å; I931-N935 PolarHBondContact O-N 2.82Å; I931-N935 PolarHBondContact O-OD1 3.37Å; I931-N935 VanDerWaalsContact O-OD1 3.07Å; W932-N935 PolarHBondContact O-N 2.79Å; N935-G939 PolarHBondContact O-N 3.33Å; N935-L958 PolarHBondContact ND2-O 3.27Å; N935-L958 WeakPolarHBondContact OD1-CD1 3.24Å
936Y92.6Very high89.6Confident14 Ų1421.9 Ų21.96%0.05512%0.118CC..Hα-helixtrans-62.3-45.8171.9173.6-117.6000112.6Q391 V395 G439 L440 V443 L715 W932 R934 G939 I940Q391-Y936 PolarHBondContact OE1-OH 3.29Å; V395-Y936 HydrophobicContact CG2-CD1 4.18Å; V395-Y936 HydrophobicContact CG2-CE1 3.91Å; G439-Y936 VanDerWaalsContact C-CE2 3.47Å; L440-Y936 VanDerWaalsContact CA-OH 3.28Å; L440-Y936 WeakPolarHBondContact CA-OH 3.44Å; L440-Y936 PolarHBondContact N-OH 3.23Å; V443-Y936 HydrophobicContact CB-CE1 4.37Å; V443-Y936 HydrophobicContact CG2-CD1 3.69Å; V443-Y936 HydrophobicContact CG2-CE1 3.28Å; L715-Y936 HydrophobicContact CD2-CD2 3.91Å; L715-Y936 HydrophobicContact CD2-CG 4.27Å; W932-Y936 HydrophobicContact CH2-CD1 4.07Å; W932-Y936 HydrophobicContact CH2-CG 4.05Å; W932-Y936 HydrophobicContact CZ2-CG 4.45Å; W932-Y936 HydrophobicContact CZ3-CD1 4.25Å; W932-Y936 HydrophobicContact CZ3-CG 4.46Å; W932-Y936 WeakPolarHBondContact O-CB 3.39Å; W932-Y936 PolarHBondContact O-N 3.04Å; R934-Y936 VanDerWaalsContact C-N 3.32Å; Y936-G939 PolarHBondContact O-N 3.24Å; Y936-I940 HydrophobicContact CD1-CD1 3.9Å; Y936-I940 HydrophobicContact CD2-CD1 4.28Å; Y936-I940 HydrophobicContact CD2-CG1 4.28Å; Y936-I940 HydrophobicContact CE1-CD1 3.44Å; Y936-I940 VanDerWaalsContact CE1-CD1 3.44Å; Y936-I940 HydrophobicContact CE1-CG1 4.37Å; Y936-I940 HydrophobicContact CE2-CD1 3.9Å; Y936-I940 HydrophobicContact CE2-CG1 3.92Å; Y936-I940 HydrophobicContact CG-CD1 4.3Å; Y936-I940 VanDerWaalsContact CZ-CD1 3.48Å; Y936-I940 WeakPolarHBondContact O-CG1 2.95Å; Y936-I940 PolarHBondContact O-N 2.87Å
937L94Very high89.7Confident2 Ų225 Ų251%0.0114%0.138CC..Hα-helixtrans-60.2-50.5178.8176.760.2000112C285 I286 V395 F933 R934 G939 I940 I941C285-L937 HydrophobicContact CB-CD1 3.6Å; C285-L937 HydrophobicContact CB-CD2 3.68Å; C285-L937 HydrophobicContact CB-CG 4.31Å; C285-L937 WeakPolarHBondContact O-CD2 3.46Å; I286-L937 HydrophobicContact CG1-CD2 4.02Å; V395-L937 HydrophobicContact CG1-CD1 4.37Å; F933-L937 VanDerWaalsContact O-CB 3.28Å; F933-L937 WeakPolarHBondContact O-CB 3.38Å; F933-L937 PolarHBondContact O-N 3.15Å; R934-L937 PolarHBondContact O-N 3.02Å; L937-G939 VanDerWaalsContact C-N 3.28Å; L937-G939 PolarHBondContact O-N 3.37Å; L937-I940 WeakPolarHBondContact O-CB 3.25Å; L937-I940 PolarHBondContact O-N 3.25Å; L937-I940 VanDerWaalsContact O-N 3.17Å; L937-I941 HydrophobicContact CD1-CD1 3.91Å; L937-I941 HydrophobicContact CD1-CG1 4.34Å; L937-I941 HydrophobicContact CG-CD1 3.91Å; L937-I941 WeakPolarHBondContact O-CG1 3.42Å; L937-I941 PolarHBondContact O-N 3.19Å
938W94.9Very high89.8Confident4 Ų422 Ų222%0.01512%0.119CC..Hα-helixtrans-65.4-32.3176.4-77.4115.1000112.7L208 F211 M215 I286 R934 I941 Y942 L958 F959L208-W938 HydrophobicContact CD1-CH2 4.29Å; L208-W938 HydrophobicContact CD1-CZ3 4.31Å; F211-W938 VanDerWaalsContact C-CH2 3.49Å; F211-W938 HydrophobicContact CB-CH2 3.88Å; F211-W938 HydrophobicContact CB-CZ2 4.25Å; F211-W938 WeakPolarHBondContact O-CH2 3.34Å; F211-W938 VanDerWaalsContact O-CZ2 3.31Å; F211-W938 WeakPolarHBondContact O-CZ2 3.45Å; M215-W938 HydrophobicContact CE-CE3 4.36Å; M215-W938 HydrophobicContact CG-CB 4.15Å; M215-W938 HydrophobicContact CG-CD2 3.74Å; M215-W938 HydrophobicContact CG-CE3 3.61Å; M215-W938 HydrophobicContact CG-CG 4Å; M215-W938 HydrophobicContact CG-CZ3 4.25Å; M215-W938 HydrophobicContact SD-CD2 4.12Å; M215-W938 HydrophobicContact SD-CE3 3.37Å; M215-W938 HydrophobicContact SD-CZ3 3.8Å; I286-W938 HydrophobicContact CD1-CH2 3.4Å; I286-W938 VanDerWaalsContact CD1-CH2 3.4Å; I286-W938 HydrophobicContact CD1-CZ2 3.57Å; I286-W938 HydrophobicContact CD1-CZ3 4.03Å; I286-W938 HydrophobicContact CG1-CH2 4.32Å; I286-W938 HydrophobicContact CG1-CZ2 4Å; I286-W938 HydrophobicContact CG2-CZ2 4.41Å; R934-W938 PolarHBondContact O-N 3.25Å; W938-I941 HydrophobicContact CD2-CD1 4.5Å; W938-I941 HydrophobicContact CE3-CB 4.18Å; W938-I941 HydrophobicContact CE3-CD1 4.02Å; W938-I941 HydrophobicContact CE3-CG2 4Å; W938-I941 HydrophobicContact CZ3-CD1 4.21Å; W938-I941 HydrophobicContact CZ3-CG2 3.98Å; W938-I941 PolarHBondContact O-N 2.84Å; W938-Y942 WeakPolarHBondContact O-CB 3.47Å; W938-Y942 PolarHBondContact O-N 2.68Å; W938-L958 HydrophobicContact CB-CD2 3.86Å; W938-L958 HydrophobicContact CG-CD2 4Å; W938-F959 HydrophobicContact CB-CE1 3.92Å
939G93Very high90.1Very high3 Ų323.3 Ų23.33%0.03112%0.123CC..Hα-helixtrans-61-43.3169.600000113.1N935 Y936 L937 L943N935-G939 PolarHBondContact O-N 3.33Å; Y936-G939 PolarHBondContact O-N 3.24Å; L937-G939 VanDerWaalsContact C-N 3.28Å; L937-G939 PolarHBondContact O-N 3.37Å; G939-L943 WeakPolarHBondContact O-CB 3.28Å; G939-L943 WeakPolarHBondContact O-CD1 3.35Å; G939-L943 WeakPolarHBondContact O-CG 3.36Å; G939-L943 PolarHBondContact O-N 3.46Å; G939-L943 VanDerWaalsContact O-N 3.15Å
940I92.6Very high90.7Very high4 Ų423.2 Ų23.22%0.02112%0.123CC..Hα-helixtrans-62.2-48.5173.2-61.9156.1000110.5Q391 E392 Y936 L937 Y942 L943 R944Q391-I940 HydrophobicContact CB-CD1 3.76Å; Q391-I940 HydrophobicContact CB-CG1 4.18Å; Q391-I940 HydrophobicContact CB-CG2 4.39Å; E392-I940 HydrophobicContact CG-CG2 3.79Å; Y936-I940 HydrophobicContact CD1-CD1 3.9Å; Y936-I940 HydrophobicContact CD2-CD1 4.28Å; Y936-I940 HydrophobicContact CD2-CG1 4.28Å; Y936-I940 HydrophobicContact CE1-CD1 3.44Å; Y936-I940 VanDerWaalsContact CE1-CD1 3.44Å; Y936-I940 HydrophobicContact CE1-CG1 4.37Å; Y936-I940 HydrophobicContact CE2-CD1 3.9Å; Y936-I940 HydrophobicContact CE2-CG1 3.92Å; Y936-I940 HydrophobicContact CG-CD1 4.3Å; Y936-I940 VanDerWaalsContact CZ-CD1 3.48Å; Y936-I940 WeakPolarHBondContact O-CG1 2.95Å; Y936-I940 PolarHBondContact O-N 2.87Å; L937-I940 WeakPolarHBondContact O-CB 3.25Å; L937-I940 PolarHBondContact O-N 3.25Å; L937-I940 VanDerWaalsContact O-N 3.17Å; I940-Y942 VanDerWaalsContact C-N 3.3Å; I940-Y942 PolarHBondContact O-N 3.32Å; I940-L943 PolarHBondContact O-N 3.35Å; I940-L943 VanDerWaalsContact O-N 3.15Å; I940-R944 HydrophobicContact CG2-CG 3.78Å; I940-R944 VanDerWaalsContact O-CB 3.32Å; I940-R944 WeakPolarHBondContact O-CB 2.79Å; I940-R944 WeakPolarHBondContact O-CG 3.43Å; I940-R944 PolarHBondContact O-N 3.46Å
941I95.1Very high91.1Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-60.3-41.8-175.9-70.5169.1000110.9L208 Q282 I286 L937 W938 N945 W951L208-I941 HydrophobicContact CD1-CD1 4.44Å; L208-I941 HydrophobicContact CD1-CG2 4.45Å; L208-I941 HydrophobicContact CD2-CG2 4.18Å; Q282-I941 HydrophobicContact CB-CD1 4.18Å; Q282-I941 HydrophobicContact CB-CG1 4.16Å; Q282-I941 HydrophobicContact CG-CD1 4.43Å; Q282-I941 HydrophobicContact CG-CG1 3.9Å; I286-I941 HydrophobicContact CD1-CD1 3.79Å; I286-I941 HydrophobicContact CG1-CD1 4.16Å; L937-I941 HydrophobicContact CD1-CD1 3.91Å; L937-I941 HydrophobicContact CD1-CG1 4.34Å; L937-I941 HydrophobicContact CG-CD1 3.91Å; L937-I941 WeakPolarHBondContact O-CG1 3.42Å; L937-I941 PolarHBondContact O-N 3.19Å; W938-I941 HydrophobicContact CD2-CD1 4.5Å; W938-I941 HydrophobicContact CE3-CB 4.18Å; W938-I941 HydrophobicContact CE3-CD1 4.02Å; W938-I941 HydrophobicContact CE3-CG2 4Å; W938-I941 HydrophobicContact CZ3-CD1 4.21Å; W938-I941 HydrophobicContact CZ3-CG2 3.98Å; W938-I941 PolarHBondContact O-N 2.84Å; I941-N945 PolarHBondContact O-N 3.38Å; I941-N945 VanDerWaalsContact O-N 3.16Å; I941-N945 PolarHBondContact O-ND2 3.4Å; I941-W951 HydrophobicContact CG2-CE3 4.38Å; I941-W951 HydrophobicContact CG2-CH2 3.67Å; I941-W951 HydrophobicContact CG2-CZ3 3.5Å; I941-W951 VanDerWaalsContact CG2-CZ3 3.5Å
942Y94Very high91.2Very high14 Ų1425.1 Ų25.16%0.05513%0.128CC..Hα-helixtrans-57.2-53.4171.8-172.9-85.3000112.1M215 W938 I940 R944 W951 V956 F959 I961M215-Y942 HydrophobicContact CE-CD2 3.68Å; M215-Y942 HydrophobicContact CE-CG 4.26Å; W938-Y942 WeakPolarHBondContact O-CB 3.47Å; W938-Y942 PolarHBondContact O-N 2.68Å; I940-Y942 VanDerWaalsContact C-N 3.3Å; I940-Y942 PolarHBondContact O-N 3.32Å; Y942-R944 VanDerWaalsContact C-N 3.28Å; Y942-R944 PolarHBondContact O-N 2.93Å; Y942-W951 HydrophobicContact CD2-CB 3.61Å; Y942-W951 HydrophobicContact CE2-CB 3.65Å; Y942-W951 WeakPolarHBondContact CE2-O 3.14Å; Y942-W951 PolarHBondContact OH-O 2.96Å; Y942-V956 HydrophobicContact CD2-CG2 4.1Å; Y942-V956 HydrophobicContact CE2-CG2 3.78Å; Y942-F959 HydrophobicContact CD2-CE2 4.49Å; Y942-F959 HydrophobicContact CD2-CZ 4.23Å; Y942-F959 HydrophobicContact CG-CE2 4.28Å; Y942-F959 HydrophobicContact CG-CZ 4.11Å; Y942-I961 HydrophobicContact CE1-CD1 4.13Å; Y942-I961 HydrophobicContact CE1-CG2 4.49Å; Y942-I961 HydrophobicContact CE2-CD1 3.85Å
943L90.3Very high90.9Very high68 Ų6830.7 Ų30.736%0.35615%0.154SC..Hα-helixtrans-69.6-22.9-175.5-67.7171.6000113.6I711 G939 I940I711-L943 HydrophobicContact CB-CD2 4.33Å; I711-L943 HydrophobicContact CG2-CD2 3.86Å; I711-L943 VanDerWaalsContact O-CD2 3.22Å; I711-L943 WeakPolarHBondContact O-CD2 3.34Å; G939-L943 WeakPolarHBondContact O-CB 3.28Å; G939-L943 WeakPolarHBondContact O-CD1 3.35Å; G939-L943 WeakPolarHBondContact O-CG 3.36Å; G939-L943 PolarHBondContact O-N 3.46Å; G939-L943 VanDerWaalsContact O-N 3.15Å; I940-L943 PolarHBondContact O-N 3.35Å; I940-L943 VanDerWaalsContact O-N 3.15Å
944R90.6Very high91.1Very high47 Ų4731 Ų3118%0.17716%0.156CC..Hα-helixtrans-90.2-33.2-177.7-70.9-84-82.7127.48.3113E278 E392 I940 Y942 I946E278-R944 IonicContact OE1-CZ 2.67Å; E278-R944 IonicContact OE1-NH1 3.77Å; E278-R944 PolarHBondContact OE1-NH1 3.24Å; E278-R944 IonicContact OE1-NH2 3.8Å; E278-R944 PolarHBondContact OE1-NH2 2.95Å; E278-R944 IonicContact OE2-NH1 2.68Å; E278-R944 IonicContact OE2-NH2 2.77Å; E392-R944 IonicContact OE1-CZ 3.47Å; E392-R944 IonicContact OE1-NE 3.69Å; E392-R944 PolarHBondContact OE1-NE 2.92Å; E392-R944 IonicContact OE1-NH2 3.57Å; E392-R944 PolarHBondContact OE1-NH2 3.11Å; E392-R944 IonicContact OE2-NE 2.62Å; I940-R944 HydrophobicContact CG2-CG 3.78Å; I940-R944 VanDerWaalsContact O-CB 3.32Å; I940-R944 WeakPolarHBondContact O-CB 2.79Å; I940-R944 WeakPolarHBondContact O-CG 3.43Å; I940-R944 PolarHBondContact O-N 3.46Å; Y942-R944 VanDerWaalsContact C-N 3.28Å; Y942-R944 PolarHBondContact O-N 2.93Å; R944-I946 VanDerWaalsContact C-N 3.26Å; R944-I946 PolarHBondContact O-N 3.45Å; R944-I946 VanDerWaalsContact O-N 3.08Å
945N92.7Very high91.1Very high13 Ų1334.3 Ų34.37%0.0718%0.175CC..  trans-89.558.9-179.4-71-84.7000112.1Q282 I941 P948 P949 I950 W951Q282-N945 PolarHBondContact OE1-ND2 2.9Å; I941-N945 PolarHBondContact O-N 3.38Å; I941-N945 VanDerWaalsContact O-N 3.16Å; I941-N945 PolarHBondContact O-ND2 3.4Å; N945-P948 CarbonylContact C-O 3.38Å; N945-P949 WeakPolarHBondContact O-CA 3.49Å; N945-I950 HydrophobicContact CB-CD1 4.48Å; N945-I950 PolarHBondContact O-N 2.81Å; N945-W951 HydrophobicContact CB-CE3 4Å; N945-W951 HydrophobicContact CB-CH2 4.5Å; N945-W951 HydrophobicContact CB-CZ3 3.5Å
946I87.4Confident91.2Very high102 Ų10235.4 Ų35.452%0.52318%0.182SC..BIsolated β-bridgetrans-90.1-1.3173.659.9169.7000113.1R944 P948R944-I946 VanDerWaalsContact C-N 3.26Å; R944-I946 PolarHBondContact O-N 3.45Å; R944-I946 VanDerWaalsContact O-N 3.08Å; I946-P948 VanDerWaalsContact C-C 3.49Å; I946-P948 CarbonylContact C-O 3.56Å
947T84.7Confident91.2Very high95 Ų9539.2 Ų39.258%0.58320%0.196SC*.THydrogen-bonded Turntrans-142.1101.5179.2-58.20000111.4K205K205-T947 PolarHBondContact NZ-O 2.87Å
948P83.7Confident91.1Very high8 Ų839.1 Ų39.15%0.05220%0.196CC..THydrogen-bonded Turncis-62.2159.6-15.233.4-38.9000111.1I43 F47 N945 I946 I950I43-P948 HydrophobicContact CD1-CG 3.78Å; I43-P948 HydrophobicContact CG1-CB 4.47Å; I43-P948 HydrophobicContact CG1-CG 3.93Å; I43-P948 HydrophobicContact CG2-CB 4.27Å; I43-P948 HydrophobicContact CG2-CG 3.93Å; F47-P948 HydrophobicContact CD1-CB 4.05Å; F47-P948 HydrophobicContact CD2-CB 4.34Å; F47-P948 HydrophobicContact CE1-CB 4Å; F47-P948 HydrophobicContact CE2-CB 4.29Å; F47-P948 HydrophobicContact CE2-CG 4.34Å; F47-P948 HydrophobicContact CG-CB 4.23Å; F47-P948 HydrophobicContact CZ-CB 4.13Å; F47-P948 HydrophobicContact CZ-CG 4.21Å; N945-P948 CarbonylContact C-O 3.38Å; I946-P948 VanDerWaalsContact C-C 3.49Å; I946-P948 CarbonylContact C-O 3.56Å; P948-I950 HydrophobicContact CG-CG1 4.15Å; P948-I950 PolarHBondContact O-N 3.31Å
949P90Very high90.9Very high54 Ų5439.2 Ų39.235%0.35120%0.196SC..BIsolated β-bridgetrans-7978.2-179.132.8-36000111.5F47 N945 Y952F47-P949 HydrophobicContact CD1-CG 4.45Å; N945-P949 WeakPolarHBondContact O-CA 3.49Å; P949-Y952 HydrophobicContact CB-CG 4.43Å
950I94.7Very high90.4Very high0 Ų044.9 Ų44.90%022%0.222CC..SBendtrans-59.5-52-169.6-59.8176.4000112.2F47 T102 P106 K205 T209 N945 P948F47-I950 HydrophobicContact CZ-CG1 4.4Å; T102-I950 HydrophobicContact CG2-CD1 4.01Å; T102-I950 HydrophobicContact CG2-CG1 4.16Å; T102-I950 HydrophobicContact CG2-CG2 4.36Å; P106-I950 HydrophobicContact CG-CG2 3.74Å; K205-I950 HydrophobicContact CD-CD1 4.44Å; T209-I950 HydrophobicContact CG2-CG2 4.21Å; N945-I950 HydrophobicContact CB-CD1 4.48Å; N945-I950 PolarHBondContact O-N 2.81Å; P948-I950 HydrophobicContact CG-CG1 4.15Å; P948-I950 PolarHBondContact O-N 3.31Å
951W94.7Very high89.8Confident2 Ų247.5 Ų47.51%0.00824%0.235CC..SBendtrans-101.95.2-176.2-56.3-75.6000113.7L208 S212 M215 I941 Y942 N945 T954L208-W951 HydrophobicContact CD2-CH2 3.97Å; L208-W951 HydrophobicContact CG-CH2 3.92Å; L208-W951 HydrophobicContact CG-CZ2 4.42Å; S212-W951 PolarHBondContact OG-NE1 2.8Å; M215-W951 HydrophobicContact CE-CG 4.43Å; M215-W951 HydrophobicContact SD-CD2 4.32Å; M215-W951 HydrophobicContact SD-CG 4.32Å; I941-W951 HydrophobicContact CG2-CE3 4.38Å; I941-W951 HydrophobicContact CG2-CH2 3.67Å; I941-W951 HydrophobicContact CG2-CZ3 3.5Å; I941-W951 VanDerWaalsContact CG2-CZ3 3.5Å; Y942-W951 HydrophobicContact CD2-CB 3.61Å; Y942-W951 HydrophobicContact CE2-CB 3.65Å; Y942-W951 WeakPolarHBondContact CE2-O 3.14Å; Y942-W951 PolarHBondContact OH-O 2.96Å; N945-W951 HydrophobicContact CB-CE3 4Å; N945-W951 HydrophobicContact CB-CH2 4.5Å; N945-W951 HydrophobicContact CB-CZ3 3.5Å; W951-T954 PolarHBondContact O-N 2.97Å; W951-T954 PolarHBondContact O-OG1 3.02Å
952Y88Confident88.7Confident74 Ų7451.5 Ų51.529%0.2925%0.254SS..THydrogen-bonded Turntrans-67.7140.9-177.8-157.2-102.5000110.7Y107 I711 P949 T954Y107-Y952 PolarHBondContact OH-O 3.33Å; I711-Y952 HydrophobicContact CD1-CE2 3.59Å; I711-Y952 VanDerWaalsContact CD1-OH 3.28Å; I711-Y952 WeakPolarHBondContact CD1-OH 3.32Å; P949-Y952 HydrophobicContact CB-CG 4.43Å; Y952-T954 PolarHBondContact O-N 3.37Å
953E84Confident87.3Confident118 Ų11857.9 Ų57.955%0.55128%0.278SS*.THydrogen-bonded Turntrans59.812.9-173.5-64.9168.2-174.200115.7R56R56-E953 PolarHBondContact NH2-O 3.09Å
954T93.2Very high85.7Confident8 Ų861 Ų615%0.04929%0.294CS..  trans-84.9155.2172.273.30000112.7P106 Y107 E110 Y216 W951 Y952 V956P106-T954 HydrophobicContact CB-CG2 3.8Å; Y107-T954 HydrophobicContact CD1-CG2 4.01Å; Y107-T954 HydrophobicContact CE1-CG2 3.61Å; Y107-T954 HydrophobicContact CE2-CG2 4.49Å; E110-T954 WeakPolarHBondContact OE1-CA 3.3Å; Y216-T954 WeakPolarHBondContact OH-CB 3.49Å; Y216-T954 PolarHBondContact OH-OG1 3.25Å; W951-T954 PolarHBondContact O-N 2.97Å; W951-T954 PolarHBondContact O-OG1 3.02Å; Y952-T954 PolarHBondContact O-N 3.37Å; T954-V956 VanDerWaalsContact C-N 3.25Å; T954-V956 PolarHBondContact O-N 2.88Å
955N92.2Very high85.4Confident91 Ų9161.7 Ų61.749%0.48730%0.299SS..  trans-79.664.1-179-65.7-52.2000112.5E110 Y216E110-N955 HydrophobicContact CB-CB 4.35Å; E110-N955 HydrophobicContact CG-CB 4.03Å; E110-N955 PolarHBondContact OE1-N 3.25Å; E110-N955 PolarHBondContact OE1-ND2 3.4Å; E110-N955 VanDerWaalsContact OE1-ND2 3.16Å; E110-N955 PolarHBondContact OE2-ND2 3.32Å; E110-N955 VanDerWaalsContact OE2-ND2 3.08Å; Y216-N955 WeakPolarHBondContact CD1-O 3.3Å
956V92.8Very high85.1Confident22 Ų2264.3 Ų64.313%0.13331%0.312CS..  trans-59.9140.8172.7176.70000110.7M215 Y942 T954 F959 I961M215-V956 HydrophobicContact CB-CG1 4.44Å; M215-V956 HydrophobicContact CE-CG2 4.45Å; M215-V956 WeakPolarHBondContact O-CG1 3.38Å; Y942-V956 HydrophobicContact CD2-CG2 4.1Å; Y942-V956 HydrophobicContact CE2-CG2 3.78Å; T954-V956 VanDerWaalsContact C-N 3.25Å; T954-V956 PolarHBondContact O-N 2.88Å; V956-F959 HydrophobicContact CG1-CD1 4.29Å; V956-F959 HydrophobicContact CG1-CD2 4.12Å; V956-F959 HydrophobicContact CG1-CE1 4.03Å; V956-F959 HydrophobicContact CG1-CE2 3.87Å; V956-F959 HydrophobicContact CG1-CG 4.33Å; V956-F959 HydrophobicContact CG1-CZ 3.82Å; V956-I961 HydrophobicContact CB-CD1 3.91Å; V956-I961 HydrophobicContact CG2-CD1 4.02Å
957R93.6Very high84.9Confident94 Ų9462.2 Ų62.236%0.35530%0.3SS..  trans-123.3-23.7-179.6-49.2-168.4-162-172.87114E110 M215 L217 E218 F959E110-R957 PolarHBondContact O-NH2 3.02Å; M215-R957 PolarHBondContact O-N 2.68Å; L217-R957 CarbonylContact O-C 3.6Å; E218-R957 VanDerWaalsContact OE1-CD 3.27Å; E218-R957 WeakPolarHBondContact OE1-CD 3.46Å; R957-F959 PolarHBondContact O-N 3.24Å
958L91.3Very high85Confident0 Ų060.2 Ų60.20%028%0.283CS..SBendtrans-62.5-30.3-178.5-172.969.5000113T214 M215 L217 Q219 A222 N935 W938T214-L958 HydrophobicContact CG2-CD2 4.3Å; M215-L958 PolarHBondContact O-N 3.21Å; L217-L958 WeakPolarHBondContact O-CA 3.16Å; L217-L958 PolarHBondContact O-N 3.16Å; Q219-L958 VanDerWaalsContact CG-O 3.22Å; Q219-L958 WeakPolarHBondContact CG-O 3.22Å; Q219-L958 PolarHBondContact NE2-O 3.27Å; A222-L958 HydrophobicContact CB-CD1 3.55Å; N935-L958 PolarHBondContact ND2-O 3.27Å; N935-L958 WeakPolarHBondContact OD1-CD1 3.24Å; W938-L958 HydrophobicContact CB-CD2 3.86Å; W938-L958 HydrophobicContact CG-CD2 4Å
959F89.5Confident85Confident6 Ų663.5 Ų63.53%0.02630%0.298CS..SBendtrans-149.2153.6176.152.7-95.6000110.1M215 A713 S714 W938 Y942 V956 R957 I961M215-F959 HydrophobicContact CE-CE1 4.03Å; M215-F959 HydrophobicContact CE-CZ 3.74Å; A713-F959 HydrophobicContact CB-CD2 3.5Å; A713-F959 VanDerWaalsContact CB-CD2 3.5Å; A713-F959 HydrophobicContact CB-CE2 3.72Å; A713-F959 HydrophobicContact CB-CG 4.12Å; S714-F959 WeakPolarHBondContact O-CB 3.25Å; W938-F959 HydrophobicContact CB-CE1 3.92Å; Y942-F959 HydrophobicContact CD2-CE2 4.49Å; Y942-F959 HydrophobicContact CD2-CZ 4.23Å; Y942-F959 HydrophobicContact CG-CE2 4.28Å; Y942-F959 HydrophobicContact CG-CZ 4.11Å; V956-F959 HydrophobicContact CG1-CD1 4.29Å; V956-F959 HydrophobicContact CG1-CD2 4.12Å; V956-F959 HydrophobicContact CG1-CE1 4.03Å; V956-F959 HydrophobicContact CG1-CE2 3.87Å; V956-F959 HydrophobicContact CG1-CG 4.33Å; V956-F959 HydrophobicContact CG1-CZ 3.82Å; R957-F959 PolarHBondContact O-N 3.24Å; F959-I961 HydrophobicContact CD2-CG1 4.2Å; F959-I961 HydrophobicContact CE2-CG1 4.03Å
960E83.4Confident84.7Confident123 Ų12364.1 Ų64.158%0.57529%0.294SS*.  trans-77152.4173.3-53.2179.9149.100110.6A713 S714 Q962A713-E960 CarbonylContact C-O 3.06Å; A713-E960 WeakPolarHBondContact CA-O 3.27Å; S714-E960 PolarHBondContact N-O 3.46Å; S714-E960 WeakPolarHBondContact OG-CB 3.41Å; S714-E960 PolarHBondContact OG-N 2.93Å; E960-Q962 PolarHBondContact OE2-NE2 3.28Å
961I79.6Confident84Confident59 Ų5968.7 Ų68.730%0.30332%0.315SS..EExtended strand (participates in β ladder)trans-113.6101.1178.9-61.9167.6000108I711 Y942 V956 F959I711-I961 HydrophobicContact CG2-CG2 3.46Å; I711-I961 VanDerWaalsContact CG2-CG2 3.46Å; Y942-I961 HydrophobicContact CE1-CD1 4.13Å; Y942-I961 HydrophobicContact CE1-CG2 4.49Å; Y942-I961 HydrophobicContact CE2-CD1 3.85Å; V956-I961 HydrophobicContact CB-CD1 3.91Å; V956-I961 HydrophobicContact CG2-CD1 4.02Å; F959-I961 HydrophobicContact CD2-CG1 4.2Å; F959-I961 HydrophobicContact CE2-CG1 4.03Å
962Q72.3Confident83.2Confident83 Ų8373.8 Ų73.839%0.38834%0.339SS..EExtended strand (participates in β ladder)trans-96.2122.7-177-61.8-177.4-100109.6I711 Q712 E960I711-Q962 CarbonylContact C-O 3.49Å; I711-Q962 WeakPolarHBondContact CA-O 3.16Å; Q712-Q962 PolarHBondContact N-O 3.48Å; Q712-Q962 PolarHBondContact O-N 3.41Å; E960-Q962 PolarHBondContact OE2-NE2 3.28Å
963R63.7Low82.8Confident148 Ų14873.8 Ų73.856%0.55834%0.343SS*.EExtended strand (participates in β ladder)trans-85127.8170-71.9178.4-175.3-147.18.4109.1D709 I711D709-R963 HydrophobicContact CB-CB 4.18Å; D709-R963 HydrophobicContact CB-CG 4Å; D709-R963 WeakPolarHBondContact OD2-CD 3.46Å; D709-R963 IonicContact OD2-CZ 2.73Å; D709-R963 IonicContact OD2-NE 3.34Å; D709-R963 IonicContact OD2-NH1 3.11Å; D709-R963 PolarHBondContact OD2-NH1 3.32Å; I711-R963 HydrophobicContact CD1-CG 4.1Å; I711-R963 HydrophobicContact CG1-CB 4.45Å; I711-R963 HydrophobicContact CG1-CG 3.65Å
964I57.5Low82.7Confident134 Ų13469.8 Ų69.869%0.68732%0.324SS*.  trans-1160179.1-51.2172.4000109.8S710 Q712S710-I964 WeakPolarHBondContact CA-O 3.24Å; S710-I964 WeakPolarHBondContact CB-O 3.46Å; S710-I964 PolarHBondContact N-O 2.8Å; S710-I964 VanDerWaalsContact O-CB 3.3Å; S710-I964 WeakPolarHBondContact O-CB 3.24Å; S710-I964 WeakPolarHBondContact O-CG1 3.35Å; S710-I964 PolarHBondContact O-N 3.21Å; S710-I964 WeakPolarHBondContact OG-CB 3.47Å; S710-I964 PolarHBondContact OG-O 2.88Å; Q712-I964 HydrophobicContact CB-CD1 3.86Å

Retrieved 964 of 964 residues in 180.9 ms (Link to these results)

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