A0A3Q0KNH1_SCHMA Loading...

Transcription factor mrg-related

AlphaFold DB , UniProt , Accession A0A3Q0KNH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 381 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.7Very low72.8Confident242 Ų242121.1 Ų121.1100%1.19263%0.631SS**  0105.10-69.1170.6178.100106.1N3M1-N3 PolarHBondContact O-N 3.07Å; M1-N3 VanDerWaalsContact O-N 3.15Å
2S51.8Low74.6Confident107 Ų107117.5 Ų117.575%0.74862%0.62SS**  trans-62.3116.3174.649.20000107.5V4S2-V4 VanDerWaalsContact C-N 3.28Å; S2-V4 PolarHBondContact O-N 3.2Å
3N49.4Very low76Confident159 Ų159111.6 Ų111.685%0.8561%0.605SS**  trans-55.5100.2163.9-101.5-23.6000106.3M1 D5M1-N3 PolarHBondContact O-N 3.07Å; M1-N3 VanDerWaalsContact O-N 3.15Å; N3-D5 VanDerWaalsContact C-N 3.32Å; N3-D5 PolarHBondContact O-N 3.03Å
4V59.2Low77.4Confident107 Ų107107.8 Ų107.865%0.64858%0.581SS**  trans-70.4102.2167.7-177.10000103.4S2 L6S2-V4 VanDerWaalsContact C-N 3.28Å; S2-V4 PolarHBondContact O-N 3.2Å; V4-L6 VanDerWaalsContact C-N 3.32Å; V4-L6 HydrophobicContact CG1-CD2 4.49Å; V4-L6 PolarHBondContact O-N 3.34Å
5D67.3Low78.7Confident153 Ų153106.3 Ų106.382%0.81857%0.567SS**  trans-56.3101.6172.2-99.5-29.1000107.4N3 K7N3-D5 VanDerWaalsContact C-N 3.32Å; N3-D5 PolarHBondContact O-N 3.03Å; D5-K7 PolarHBondContact O-N 2.96Å
6L77.1Confident79.8Confident70 Ų7099.7 Ų99.737%0.36653%0.532SS..  trans-74.671.7179.6-72.7173.7000108.5V4 V34 K35 V39V4-L6 VanDerWaalsContact C-N 3.32Å; V4-L6 HydrophobicContact CG1-CD2 4.49Å; V4-L6 PolarHBondContact O-N 3.34Å; L6-V34 HydrophobicContact CB-CG1 3.86Å; L6-V34 HydrophobicContact CD1-CG1 4.18Å; L6-K35 WeakPolarHBondContact CD1-O 3.47Å; L6-V39 HydrophobicContact CB-CG2 4.24Å
7K84.7Confident80.8Confident180 Ų18093.8 Ų93.878%0.78350%0.501SS*.  trans-79.8128.5178.3-169.9174.6179.8174.30109.9D5D5-K7 PolarHBondContact O-N 2.96Å
8P89.5Confident81.7Confident56 Ų5688.6 Ų88.636%0.36447%0.473SS..  trans-64.9138.1175.927.9-35000111.4V32 V39 Y41P8-V32 HydrophobicContact CB-CG1 3.62Å; P8-V32 HydrophobicContact CG-CG1 4.41Å; P8-V39 HydrophobicContact CB-CG1 4.02Å; P8-Y41 HydrophobicContact CB-CE1 4.35Å
9K91.4Very high82.3Confident116 Ų11684.1 Ų84.150%0.50445%0.448SS..SBendtrans-85.9-23.5-179.1-174.5175.1179.2-179.50112.9Y41K9-Y41 PolarHBondContact N-OH 3.5Å
10Y94.4Very high82.7Confident2 Ų280.4 Ų80.41%0.00843%0.429CS..SBendtrans-130153.2-179.5-55.1-83.4000109.8E14 L16 Y41 M61 F62 K63Y10-E14 VanDerWaalsContact CA-OE2 3.23Å; Y10-E14 WeakPolarHBondContact CA-OE2 3.4Å; Y10-L16 HydrophobicContact CD1-CD2 4.26Å; Y10-L16 HydrophobicContact CE1-CB 4.45Å; Y10-L16 HydrophobicContact CG-CD2 4.43Å; Y10-Y41 HydrophobicContact CD2-CD1 4.25Å; Y10-Y41 AromaticContact CD2-CE1 3.91Å; Y10-Y41 HydrophobicContact CD2-CE1 3.91Å; Y10-Y41 HydrophobicContact CD2-CE2 4.37Å; Y10-Y41 AromaticContact CD2-CZ 3.97Å; Y10-Y41 HydrophobicContact CG-CE1 4.32Å; Y10-M61 HydrophobicContact CD2-CB 4.35Å; Y10-M61 HydrophobicContact CD2-CE 3.61Å; Y10-M61 HydrophobicContact CD2-SD 4.17Å; Y10-M61 HydrophobicContact CE2-CB 3.61Å; Y10-M61 HydrophobicContact CE2-CE 4.05Å; Y10-M61 HydrophobicContact CE2-SD 4.29Å; Y10-M61 HydrophobicContact CG-CE 3.91Å; Y10-M61 PolarHBondContact OH-O 2.94Å; Y10-F62 WeakPolarHBondContact OH-CA 3.1Å; Y10-F62 PolarHBondContact OH-N 2.98Å; Y10-K63 HydrophobicContact CE1-CG 3.69Å
11E94Very high82.9Confident140 Ų14076.6 Ų76.665%0.65441%0.408SS*.  trans-112151.4-179.7-65.7-175.8170.700112.7G13 E14 C29E11-G13 PolarHBondContact O-N 3.02Å; E11-E14 PolarHBondContact N-OE2 3.48Å; E11-E14 WeakPolarHBondContact O-CB 3.5Å; E11-E14 PolarHBondContact O-N 3.18Å; E11-C29 WeakPolarHBondContact O-CB 3.32Å
12P95Very high85Confident78 Ų7865.5 Ų65.551%0.50635%0.354SS..THydrogen-bonded Turntrans-55.2128.8171.1-23.133.9000111.1V32P12-V32 HydrophobicContact CG-CB 4.46Å; P12-V32 HydrophobicContact CG-CG2 3.91Å
13G92.4Very high86.9Confident41 Ų4162 Ų6242%0.42333%0.327SS..THydrogen-bonded Turntrans98.4-17.5-174.400000114.4E11 K28 C29E11-G13 PolarHBondContact O-N 3.02Å; G13-K28 VanDerWaalsContact O-CE 3.24Å; G13-K28 WeakPolarHBondContact O-CE 3.35Å; G13-C29 WeakPolarHBondContact CA-O 3.22Å; G13-C29 PolarHBondContact N-O 3.19Å
14E95.6Very high88.9Confident58 Ų5854.6 Ų54.627%0.27129%0.287SS..  trans-69.9136.6-176.4-168.9176.7169.100112.2Y10 E11 K28 C29Y10-E14 VanDerWaalsContact CA-OE2 3.23Å; Y10-E14 WeakPolarHBondContact CA-OE2 3.4Å; E11-E14 PolarHBondContact N-OE2 3.48Å; E11-E14 WeakPolarHBondContact O-CB 3.5Å; E11-E14 PolarHBondContact O-N 3.18Å; E14-K28 WeakPolarHBondContact O-CA 3.4Å; E14-C29 PolarHBondContact O-N 2.92Å
15K96.5Very high90.6Very high86 Ų8652.5 Ų52.537%0.37427%0.268SS..EExtended strand (participates in β ladder)trans-86.4132.2174.1-176.7177.1169.2162.90110E26 Y64K15-E26 WeakPolarHBondContact CE-OE1 3.2Å; K15-E26 WeakPolarHBondContact CE-OE2 3.42Å; K15-E26 IonicContact NZ-OE1 2.72Å; K15-E26 PolarHBondContact NZ-OE1 2.75Å; K15-E26 IonicContact NZ-OE2 2.88Å; K15-E26 PolarHBondContact NZ-OE2 2.89Å; K15-Y64 HydrophobicContact CD-CD1 4.34Å; K15-Y64 HydrophobicContact CD-CD2 4.43Å; K15-Y64 HydrophobicContact CD-CG 4.31Å; K15-Y64 HydrophobicContact CG-CD2 4.29Å; K15-Y64 HydrophobicContact CG-CG 4.17Å; K15-Y64 WeakPolarHBondContact O-CB 3.36Å
16L97.4Very high92Very high0 Ų048.1 Ų48.10%024%0.243CC..EExtended strand (participates in β ladder)trans-147.6175.8-172.561.294.7000111.6Y10 C18 A27 C29 M61 F62Y10-L16 HydrophobicContact CD1-CD2 4.26Å; Y10-L16 HydrophobicContact CE1-CB 4.45Å; Y10-L16 HydrophobicContact CG-CD2 4.43Å; L16-C18 HydrophobicContact CD1-CB 3.83Å; L16-A27 HydrophobicContact CD1-CB 3.93Å; L16-A27 HydrophobicContact CG-CB 4.49Å; L16-A27 PolarHBondContact N-O 2.86Å; L16-A27 PolarHBondContact O-N 3.37Å; L16-A27 VanDerWaalsContact O-O 3.04Å; L16-C29 HydrophobicContact CD2-CB 3.7Å; L16-M61 HydrophobicContact CD1-CB 4.39Å; L16-M61 HydrophobicContact CD1-CE 3.83Å; L16-M61 HydrophobicContact CD1-CG 4.29Å; L16-M61 HydrophobicContact CD2-CE 3.25Å; L16-M61 HydrophobicContact CG-CE 4.16Å; L16-F62 WeakPolarHBondContact CB-O 3.44Å
17L96.6Very high93Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-109.2131.4169.6-62.2170000108.8M24 Y25 M61 F62 Y64 G68 L69L17-M24 HydrophobicContact CB-CE 3.51Å; L17-M24 HydrophobicContact CD1-CE 3.93Å; L17-M24 HydrophobicContact CG-CE 4.36Å; L17-Y25 CarbonylContact C-O 3.59Å; L17-Y25 VanDerWaalsContact CA-O 3.3Å; L17-Y25 WeakPolarHBondContact CA-O 3.22Å; L17-M61 CarbonylContact O-C 3.57Å; L17-M61 WeakPolarHBondContact O-CA 3.47Å; L17-F62 HydrophobicContact CB-CB 4.27Å; L17-F62 PolarHBondContact N-O 3.15Å; L17-F62 PolarHBondContact O-N 3.37Å; L17-Y64 HydrophobicContact CD2-CD2 3.73Å; L17-Y64 HydrophobicContact CD2-CE2 4.02Å; L17-Y64 HydrophobicContact CG-CD2 3.93Å; L17-G68 WeakPolarHBondContact CD1-O 2.96Å; L17-L69 HydrophobicContact CD1-CD2 4.3Å; L17-L69 HydrophobicContact CD1-CG 4.49Å
18C96.3Very high93.6Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-127.1134.6-179.5-169.80000111.1L16 M24 Y25 A27 Y45 R60L16-C18 HydrophobicContact CD1-CB 3.83Å; C18-M24 WeakPolarHBondContact O-CA 3.49Å; C18-Y25 PolarHBondContact N-O 2.76Å; C18-Y25 PolarHBondContact O-N 3.14Å; C18-A27 HydrophobicContact CB-CB 3.92Å; C18-Y45 HydrophobicContact CB-CE1 3.79Å; C18-R60 CarbonylContact C-O 3.59Å; C18-R60 WeakPolarHBondContact CA-O 3.47Å; C18-R60 PolarHBondContact SG-O 3.34Å
19F94.3Very high93.9Very high2 Ų238.4 Ų38.41%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-67.8130.8172.5-81-69.4000110.8L23 M24 Y45 R60 F62 L75 L97 P98 L103F19-L23 WeakPolarHBondContact CA-O 3.34Å; F19-M24 HydrophobicContact CD1-CG 3.4Å; F19-M24 VanDerWaalsContact CD1-CG 3.4Å; F19-M24 HydrophobicContact CD1-SD 4.49Å; F19-M24 HydrophobicContact CD2-CG 4.23Å; F19-M24 HydrophobicContact CE1-CG 3.19Å; F19-M24 HydrophobicContact CE1-SD 3.81Å; F19-M24 HydrophobicContact CE2-CG 4.06Å; F19-M24 HydrophobicContact CE2-SD 4.03Å; F19-M24 HydrophobicContact CG-CG 3.93Å; F19-M24 HydrophobicContact CZ-CG 3.54Å; F19-M24 HydrophobicContact CZ-SD 3.52Å; F19-M24 VanDerWaalsContact CZ-SD 3.52Å; F19-Y45 PolarHBondContact O-OH 3.42Å; F19-R60 HydrophobicContact CB-CB 4.39Å; F19-R60 HydrophobicContact CB-CG 4.5Å; F19-R60 PolarHBondContact N-O 3.09Å; F19-R60 VanDerWaalsContact O-CZ 3.25Å; F19-R60 PolarHBondContact O-NE 2.85Å; F19-R60 PolarHBondContact O-NH2 3.4Å; F19-F62 HydrophobicContact CD2-CD2 4.19Å; F19-F62 AromaticContact CD2-CE2 3.98Å; F19-F62 HydrophobicContact CD2-CE2 3.98Å; F19-F62 AromaticContact CE2-CD2 3.81Å; F19-F62 HydrophobicContact CE2-CD2 3.81Å; F19-F62 AromaticContact CE2-CE2 3.38Å; F19-F62 HydrophobicContact CE2-CE2 3.38Å; F19-F62 HydrophobicContact CE2-CZ 4.22Å; F19-F62 HydrophobicContact CZ-CE2 4.4Å; F19-L75 HydrophobicContact CE1-CD1 3.48Å; F19-L75 VanDerWaalsContact CE1-CD1 3.48Å; F19-L75 HydrophobicContact CZ-CD1 3.92Å; F19-L97 HydrophobicContact CB-CD2 3.72Å; F19-L97 HydrophobicContact CD2-CD2 3.59Å; F19-L97 HydrophobicContact CE2-CD2 4.3Å; F19-L97 HydrophobicContact CG-CD2 3.71Å; F19-P98 VanDerWaalsContact CD1-CD 3.49Å; F19-P98 HydrophobicContact CD1-CG 3.71Å; F19-P98 HydrophobicContact CE1-CG 3.35Å; F19-P98 HydrophobicContact CZ-CG 4.18Å; F19-L103 HydrophobicContact CE1-CD2 4.23Å; F19-L103 HydrophobicContact CE2-CD2 4.43Å; F19-L103 HydrophobicContact CZ-CD2 3.68Å
20H89.3Confident94.2Very high11 Ų1136.2 Ų36.25%0.05119%0.186CC..EExtended strand (participates in β ladder)trans-135.487.8166-170.9-59.7000108.9L23 Y25 Y45 W52 E54 L92H20-L23 PolarHBondContact N-O 3.42Å; H20-Y25 HydrophobicContact CB-CD2 3.73Å; H20-Y25 HydrophobicContact CB-CE2 3.8Å; H20-Y25 WeakPolarHBondContact O-CE2 3.33Å; H20-Y45 HydrophobicContact CB-CE1 3.9Å; H20-Y45 AromaticContact CD2-CE2 3.75Å; H20-Y45 AromaticContact CD2-CZ 3.69Å; H20-W52 AromaticContact NE2-CE3 3.77Å; H20-W52 AromaticContact NE2-CZ3 3.84Å; H20-E54 IonicContact CD2-OE1 3.74Å; H20-E54 PolarHBondContact CD2-OE1 3.28Å; H20-L92 WeakPolarHBondContact CE1-CD2 3.18Å; H20-L92 WeakPolarHBondContact ND1-CD2 3.38Å
21G87.1Confident94.2Very high0 Ų040 Ų400%021%0.206CC..THydrogen-bonded Turntrans82.3-136.5-170.600000111.9L23 Q95 S96 L97 P98G21-L23 VanDerWaalsContact C-N 3.27Å; G21-L23 PolarHBondContact O-N 3.37Å; G21-Q95 VanDerWaalsContact CA-O 3.29Å; G21-Q95 WeakPolarHBondContact CA-O 3.27Å; G21-S96 PolarHBondContact N-O 3.18Å; G21-L97 CarbonylContact O-C 3.51Å; G21-P98 WeakPolarHBondContact O-CD 3.47Å
22P85.9Confident94.3Very high10 Ų1034.9 Ų34.97%0.06518%0.184CC..THydrogen-bonded Turntrans-80-6.6-173.233.3-35.1000114I79 V84P22-I79 HydrophobicContact CB-CD1 4.03Å; P22-I79 HydrophobicContact CG-CD1 4.07Å; P22-V84 HydrophobicContact CB-CG1 3.78Å
23L91.1Very high94.2Very high33 Ų3336 Ų3617%0.17318%0.181CC..EExtended strand (participates in β ladder)trans-121.8159.9-175.2-71.6175.3000111.9F19 H20 G21 Y25 L75 E76 I79F19-L23 WeakPolarHBondContact CA-O 3.34Å; H20-L23 PolarHBondContact N-O 3.42Å; G21-L23 VanDerWaalsContact C-N 3.27Å; G21-L23 PolarHBondContact O-N 3.37Å; L23-Y25 HydrophobicContact CB-CE2 3.95Å; L23-L75 HydrophobicContact CD2-CB 4.1Å; L23-E76 HydrophobicContact CD2-CG 3.93Å; L23-I79 HydrophobicContact CD2-CG1 3.94Å; L23-I79 HydrophobicContact CG-CG1 4.34Å
24M92.4Very high94.1Very high3 Ų337.9 Ų37.92%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-101.1134.8171.3-65.4173.960.300109.6L17 C18 F19 F62 K71 Q72 L75L17-M24 HydrophobicContact CB-CE 3.51Å; L17-M24 HydrophobicContact CD1-CE 3.93Å; L17-M24 HydrophobicContact CG-CE 4.36Å; C18-M24 WeakPolarHBondContact O-CA 3.49Å; F19-M24 HydrophobicContact CD1-CG 3.4Å; F19-M24 VanDerWaalsContact CD1-CG 3.4Å; F19-M24 HydrophobicContact CD1-SD 4.49Å; F19-M24 HydrophobicContact CD2-CG 4.23Å; F19-M24 HydrophobicContact CE1-CG 3.19Å; F19-M24 HydrophobicContact CE1-SD 3.81Å; F19-M24 HydrophobicContact CE2-CG 4.06Å; F19-M24 HydrophobicContact CE2-SD 4.03Å; F19-M24 HydrophobicContact CG-CG 3.93Å; F19-M24 HydrophobicContact CZ-CG 3.54Å; F19-M24 HydrophobicContact CZ-SD 3.52Å; F19-M24 VanDerWaalsContact CZ-SD 3.52Å; M24-F62 HydrophobicContact CE-CB 3.54Å; M24-F62 HydrophobicContact CE-CD1 4.5Å; M24-F62 HydrophobicContact CE-CD2 3.84Å; M24-F62 HydrophobicContact CE-CG 3.68Å; M24-K71 HydrophobicContact SD-CB 4.13Å; M24-K71 HydrophobicContact SD-CD 4.13Å; M24-K71 HydrophobicContact SD-CG 3.92Å; M24-Q72 HydrophobicContact CB-CB 4.23Å; M24-Q72 HydrophobicContact CB-CG 4.22Å; M24-Q72 PolarHBondContact O-NE2 3.27Å; M24-L75 HydrophobicContact CG-CD1 3.75Å; M24-L75 HydrophobicContact SD-CD1 3.72Å
25Y94.6Very high93.7Very high64 Ų6439.5 Ų39.525%0.25119%0.19SC..EExtended strand (participates in β ladder)trans-118.5151.6178.7-60.8-84.3000110.4L17 C18 H20 L23 A27 W48L17-Y25 CarbonylContact C-O 3.59Å; L17-Y25 VanDerWaalsContact CA-O 3.3Å; L17-Y25 WeakPolarHBondContact CA-O 3.22Å; C18-Y25 PolarHBondContact N-O 2.76Å; C18-Y25 PolarHBondContact O-N 3.14Å; H20-Y25 HydrophobicContact CB-CD2 3.73Å; H20-Y25 HydrophobicContact CB-CE2 3.8Å; H20-Y25 WeakPolarHBondContact O-CE2 3.33Å; L23-Y25 HydrophobicContact CB-CE2 3.95Å; Y25-A27 PolarHBondContact O-N 3.15Å; Y25-W48 AromaticContact CD1-CZ2 3.69Å; Y25-W48 HydrophobicContact CD1-CZ2 3.69Å; Y25-W48 HydrophobicContact CD2-CH2 4.38Å; Y25-W48 HydrophobicContact CD2-CZ2 4.19Å; Y25-W48 HydrophobicContact CE1-CH2 4.36Å; Y25-W48 AromaticContact CE1-CZ2 3.61Å; Y25-W48 HydrophobicContact CE1-CZ2 3.61Å; Y25-W48 HydrophobicContact CE2-CH2 4.14Å; Y25-W48 HydrophobicContact CE2-CZ2 4.12Å; Y25-W48 AromaticContact CG-CZ2 3.97Å; Y25-W48 HydrophobicContact CG-CZ2 3.97Å; Y25-W48 AromaticContact CZ-CZ2 3.81Å
26E96.4Very high93Very high60 Ų6044.4 Ų44.428%0.2822%0.215SC..EExtended strand (participates in β ladder)trans-63.6131.6167.6-176.617714400109.9K15 Q46 Y64K15-E26 WeakPolarHBondContact CE-OE1 3.2Å; K15-E26 WeakPolarHBondContact CE-OE2 3.42Å; K15-E26 IonicContact NZ-OE1 2.72Å; K15-E26 PolarHBondContact NZ-OE1 2.75Å; K15-E26 IonicContact NZ-OE2 2.88Å; K15-E26 PolarHBondContact NZ-OE2 2.89Å; E26-Q46 HydrophobicContact CB-CB 4.08Å; E26-Q46 HydrophobicContact CG-CB 3.91Å; E26-Q46 HydrophobicContact CG-CG 4.38Å; E26-Q46 WeakPolarHBondContact O-CB 3.4Å; E26-Q46 PolarHBondContact O-N 3.02Å; E26-Y64 HydrophobicContact CG-CE2 4.29Å
27A97.6Very high92.2Very high2 Ų252.3 Ų52.32%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-144.7166.9-179.100000111.2L16 C18 Y25 H44 Y45L16-A27 HydrophobicContact CD1-CB 3.93Å; L16-A27 HydrophobicContact CG-CB 4.49Å; L16-A27 PolarHBondContact N-O 2.86Å; L16-A27 PolarHBondContact O-N 3.37Å; L16-A27 VanDerWaalsContact O-O 3.04Å; C18-A27 HydrophobicContact CB-CB 3.92Å; Y25-A27 PolarHBondContact O-N 3.15Å; A27-H44 CarbonylContact C-O 3.48Å; A27-H44 WeakPolarHBondContact CA-O 3.39Å; A27-H44 WeakPolarHBondContact CB-O 3.49Å; A27-Y45 HydrophobicContact CB-CD1 4.1Å
28K97.5Very high91.7Very high100 Ų10053.1 Ų53.144%0.43527%0.265SS..EExtended strand (participates in β ladder)trans-123.9131.3174.2-172.3174.8179.7175.60109.4G13 E14 L30 H44G13-K28 VanDerWaalsContact O-CE 3.24Å; G13-K28 WeakPolarHBondContact O-CE 3.35Å; E14-K28 WeakPolarHBondContact O-CA 3.4Å; K28-L30 HydrophobicContact CD-CD2 4.39Å; K28-L30 HydrophobicContact CG-CD2 4.37Å; K28-L30 PolarHBondContact O-N 3.27Å; K28-H44 PolarHBondContact N-O 3.01Å; K28-H44 PolarHBondContact O-N 3.17Å
29C97.2Very high91.5Very high0 Ų054 Ų540%027%0.271CS..EExtended strand (participates in β ladder)trans-70.3121.4167.8-176.60000108.1E11 G13 E14 L16 D31E11-C29 WeakPolarHBondContact O-CB 3.32Å; G13-C29 WeakPolarHBondContact CA-O 3.22Å; G13-C29 PolarHBondContact N-O 3.19Å; E14-C29 PolarHBondContact O-N 2.92Å; L16-C29 HydrophobicContact CD2-CB 3.7Å; C29-D31 PolarHBondContact SG-O 2.97Å
30L95.8Very high91.5Very high71 Ų7155.9 Ų55.937%0.37228%0.28SS..EExtended strand (participates in β ladder)trans-95.5-35.2177.9-65.9-169.5000112.1K28 F42 H44K28-L30 HydrophobicContact CD-CD2 4.39Å; K28-L30 HydrophobicContact CG-CD2 4.37Å; K28-L30 PolarHBondContact O-N 3.27Å; L30-F42 HydrophobicContact CB-CD1 3.87Å; L30-F42 HydrophobicContact CD1-CD1 4Å; L30-F42 HydrophobicContact CD1-CE1 4.03Å; L30-F42 HydrophobicContact CG-CD1 4.47Å; L30-F42 PolarHBondContact N-O 3.44Å; L30-H44 HydrophobicContact CD1-CB 3.65Å; L30-H44 HydrophobicContact CD2-CB 4.18Å; L30-H44 HydrophobicContact CG-CB 3.81Å
31D95.9Very high91.9Very high82 Ų8255.5 Ų55.544%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-154.7160.1-178.1-161.26.3000111C29 Y41 F42 W55C29-D31 PolarHBondContact SG-O 2.97Å; D31-Y41 CarbonylContact O-C 3.58Å; D31-Y41 WeakPolarHBondContact O-CA 3.47Å; D31-F42 HydrophobicContact CB-CB 3.93Å; D31-F42 PolarHBondContact O-N 3.28Å; D31-W55 HydrophobicContact CB-CH2 3.99Å
32V95.6Very high92.3Very high31 Ų3158.1 Ų58.119%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-133.3126.5-178.1-177.20000109.5P8 P12 V39 Y41P8-V32 HydrophobicContact CB-CG1 3.62Å; P8-V32 HydrophobicContact CG-CG1 4.41Å; P12-V32 HydrophobicContact CG-CB 4.46Å; P12-V32 HydrophobicContact CG-CG2 3.91Å; V32-V39 HydrophobicContact CG1-CG1 3.68Å; V32-Y41 HydrophobicContact CG1-CD1 4.19Å; V32-Y41 HydrophobicContact CG1-CE1 3.98Å; V32-Y41 HydrophobicContact CG2-CD1 3.77Å; V32-Y41 HydrophobicContact CG2-CE1 4.08Å
33K93Very high92.8Very high102 Ų10257.7 Ų57.744%0.44329%0.286SS..EExtended strand (participates in β ladder)trans-126.8117.3-179.2-171.2171.7-176.8173.10110.2K35 M40 W55K33-K35 HydrophobicContact CG-CG 4.43Å; K33-M40 PolarHBondContact N-O 3.07Å; K33-M40 PolarHBondContact O-N 2.85Å; K33-W55 HydrophobicContact CB-CE3 4.36Å; K33-W55 HydrophobicContact CB-CH2 3.66Å; K33-W55 HydrophobicContact CB-CZ3 3.51Å; K33-W55 HydrophobicContact CD-CH2 4.47Å
34V90.6Very high93.1Very high80 Ų8057.9 Ų57.949%0.48529%0.286SS..EExtended strand (participates in β ladder)trans-85.9121.1172.5-173.20000108.2L6 V39L6-V34 HydrophobicContact CB-CG1 3.86Å; L6-V34 HydrophobicContact CD1-CG1 4.18Å; V34-V39 HydrophobicContact CG2-CG1 4.43Å; V34-V39 HydrophobicContact CG2-CG2 4.31Å
35K85.9Confident93.3Very high92 Ų9257.7 Ų57.740%0.429%0.286SS..EExtended strand (participates in β ladder)trans-113.7170.1172.4-69.9-175.8171.4-175.90109.4L6 K33 D37 G38 M40L6-K35 WeakPolarHBondContact CD1-O 3.47Å; K33-K35 HydrophobicContact CG-CG 4.43Å; K35-D37 PolarHBondContact O-N 2.73Å; K35-G38 PolarHBondContact N-O 3.34Å; K35-G38 PolarHBondContact O-N 2.69Å; K35-G38 VanDerWaalsContact O-N 3.15Å; K35-M40 HydrophobicContact CD-CE 4.03Å; K35-M40 HydrophobicContact CD-SD 4.43Å
36E83.2Confident93.2Very high190 Ų19060.2 Ų60.289%0.88830%0.3SS*.THydrogen-bonded Turntrans-57.3-38.6174.4-63.7179.8-174.400111.9G38E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.29Å
37D79.4Confident93Very high166 Ų16660.9 Ų60.989%0.88832%0.323SS*.THydrogen-bonded Turntrans-80.1-0.7-179.7-61.3-42.8000114.7K35K35-D37 PolarHBondContact O-N 2.73Å
38G87.1Confident92.6Very high17 Ų1764.3 Ų64.318%0.17534%0.336CS..EExtended strand (participates in β ladder)trans130.3-171.4179.500000114.5K35 E36K35-G38 PolarHBondContact N-O 3.34Å; K35-G38 PolarHBondContact O-N 2.69Å; K35-G38 VanDerWaalsContact O-N 3.15Å; E36-G38 VanDerWaalsContact C-N 3.27Å; E36-G38 PolarHBondContact O-N 3.29Å
39V92.2Very high92Very high18 Ų1864.5 Ų64.511%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-93.6126.9-177.5-169.70000110.5L6 P8 V32 V34 Y41L6-V39 HydrophobicContact CB-CG2 4.24Å; P8-V39 HydrophobicContact CB-CG1 4.02Å; V32-V39 HydrophobicContact CG1-CG1 3.68Å; V34-V39 HydrophobicContact CG2-CG1 4.43Å; V34-V39 HydrophobicContact CG2-CG2 4.31Å; V39-Y41 HydrophobicContact CB-CE2 4.13Å; V39-Y41 HydrophobicContact CG1-CE1 3.98Å; V39-Y41 HydrophobicContact CG1-CE2 3.81Å; V39-Y41 VanDerWaalsContact CG1-CZ 3.46Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.31Å
40M94.2Very high91.6Very high41 Ų4172.3 Ų72.320%0.20238%0.375CS..EExtended strand (participates in β ladder)trans-109.8149171.3-56.2-152.3-47.900111.1K33 K35 W55 V56K33-M40 PolarHBondContact N-O 3.07Å; K33-M40 PolarHBondContact O-N 2.85Å; K35-M40 HydrophobicContact CD-CE 4.03Å; K35-M40 HydrophobicContact CD-SD 4.43Å; M40-W55 HydrophobicContact CB-CE3 3.79Å; M40-W55 HydrophobicContact CB-CZ3 4.41Å; M40-W55 HydrophobicContact CE-CB 3.89Å; M40-W55 HydrophobicContact CE-CD2 4.29Å; M40-W55 HydrophobicContact CE-CE3 4.33Å; M40-W55 HydrophobicContact CE-CG 4.13Å; M40-V56 CarbonylContact C-O 3.58Å; M40-V56 WeakPolarHBondContact CA-O 3.19Å
41Y96.4Very high91.2Very high4 Ų474.6 Ų74.62%0.01639%0.388CS..EExtended strand (participates in β ladder)trans-124.9131-177.8-54.8-93.4000108.7P8 K9 Y10 D31 V32 V39 W55 V56 D58 M61P8-Y41 HydrophobicContact CB-CE1 4.35Å; K9-Y41 PolarHBondContact N-OH 3.5Å; Y10-Y41 HydrophobicContact CD2-CD1 4.25Å; Y10-Y41 AromaticContact CD2-CE1 3.91Å; Y10-Y41 HydrophobicContact CD2-CE1 3.91Å; Y10-Y41 HydrophobicContact CD2-CE2 4.37Å; Y10-Y41 AromaticContact CD2-CZ 3.97Å; Y10-Y41 HydrophobicContact CG-CE1 4.32Å; D31-Y41 CarbonylContact O-C 3.58Å; D31-Y41 WeakPolarHBondContact O-CA 3.47Å; V32-Y41 HydrophobicContact CG1-CD1 4.19Å; V32-Y41 HydrophobicContact CG1-CE1 3.98Å; V32-Y41 HydrophobicContact CG2-CD1 3.77Å; V32-Y41 HydrophobicContact CG2-CE1 4.08Å; V39-Y41 HydrophobicContact CB-CE2 4.13Å; V39-Y41 HydrophobicContact CG1-CE1 3.98Å; V39-Y41 HydrophobicContact CG1-CE2 3.81Å; V39-Y41 VanDerWaalsContact CG1-CZ 3.46Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.31Å; Y41-W55 VanDerWaalsContact C-CE3 3.44Å; Y41-W55 CarbonylContact O-C 3.57Å; Y41-W55 WeakPolarHBondContact O-CA 3.43Å; Y41-V56 PolarHBondContact N-O 3.16Å; Y41-V56 PolarHBondContact O-N 3.12Å; Y41-D58 HydrophobicContact CE2-CB 4.02Å; Y41-M61 VanDerWaalsContact CB-SD 3.54Å; Y41-M61 HydrophobicContact CD1-CE 4.08Å; Y41-M61 HydrophobicContact CD1-SD 4.37Å; Y41-M61 HydrophobicContact CD2-CE 4.2Å; Y41-M61 HydrophobicContact CD2-SD 3.42Å; Y41-M61 WeakPolarHBondContact CD2-SD 3.41Å; Y41-M61 HydrophobicContact CE2-SD 4.27Å; Y41-M61 HydrophobicContact CG-CE 3.71Å; Y41-M61 HydrophobicContact CG-SD 3.51Å; Y41-M61 VanDerWaalsContact CG-SD 3.51Å
42F97.5Very high90.8Very high55 Ų5574.6 Ų74.624%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-85.2116.9171.7-164.7-123000108.2L30 D31 D53 E54 W55L30-F42 HydrophobicContact CB-CD1 3.87Å; L30-F42 HydrophobicContact CD1-CD1 4Å; L30-F42 HydrophobicContact CD1-CE1 4.03Å; L30-F42 HydrophobicContact CG-CD1 4.47Å; L30-F42 PolarHBondContact N-O 3.44Å; D31-F42 HydrophobicContact CB-CB 3.93Å; D31-F42 PolarHBondContact O-N 3.28Å; F42-D53 HydrophobicContact CE1-CB 3.92Å; F42-D53 HydrophobicContact CE2-CB 4.03Å; F42-D53 HydrophobicContact CZ-CB 3.44Å; F42-D53 VanDerWaalsContact CZ-CB 3.44Å; F42-E54 WeakPolarHBondContact CA-O 3.17Å; F42-E54 WeakPolarHBondContact CD2-O 3.45Å; F42-W55 HydrophobicContact CB-CD2 3.95Å; F42-W55 HydrophobicContact CB-CE3 3.91Å; F42-W55 HydrophobicContact CB-CH2 3.79Å; F42-W55 HydrophobicContact CB-CZ2 3.82Å; F42-W55 HydrophobicContact CB-CZ3 3.83Å; F42-W55 AromaticContact CD2-CD1 3.65Å; F42-W55 AromaticContact CD2-CD2 3.89Å; F42-W55 HydrophobicContact CD2-CD2 3.89Å; F42-W55 AromaticContact CD2-CE2 3.67Å; F42-W55 AromaticContact CD2-CG 3.9Å; F42-W55 HydrophobicContact CD2-CG 3.9Å; F42-W55 HydrophobicContact CD2-CZ2 4.27Å; F42-W55 AromaticContact CD2-NE1 3.49Å; F42-W55 AromaticContact CE2-NE1 3.97Å; F42-W55 HydrophobicContact CG-CD2 4.35Å; F42-W55 HydrophobicContact CG-CZ2 4.18Å
43V96Very high90.6Very high0 Ų074.6 Ų74.60%038%0.381CS..EExtended strand (participates in β ladder)trans-113.6138.4-173.3-66.10000111.2Y45 D53 E54 V56 M61V43-Y45 HydrophobicContact CG2-CE2 4.33Å; V43-D53 VanDerWaalsContact O-CA 3.28Å; V43-D53 WeakPolarHBondContact O-CA 3.46Å; V43-E54 HydrophobicContact CG2-CG 4Å; V43-E54 WeakPolarHBondContact CG2-O 3.49Å; V43-E54 PolarHBondContact N-O 3.1Å; V43-E54 PolarHBondContact O-N 2.97Å; V43-V56 HydrophobicContact CB-CG2 4.33Å; V43-V56 HydrophobicContact CG1-CG2 3.61Å; V43-V56 HydrophobicContact CG2-CB 4.44Å; V43-V56 HydrophobicContact CG2-CG1 3.84Å; V43-V56 HydrophobicContact CG2-CG2 3.71Å; V43-M61 HydrophobicContact CG1-CE 3.87Å; V43-M61 HydrophobicContact CG1-SD 4.22Å
44H96.9Very high90.7Very high37 Ų3772.1 Ų72.117%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-113.6126169.8172.869.1000109.7A27 K28 L30 W48 D53A27-H44 CarbonylContact C-O 3.48Å; A27-H44 WeakPolarHBondContact CA-O 3.39Å; A27-H44 WeakPolarHBondContact CB-O 3.49Å; K28-H44 PolarHBondContact N-O 3.01Å; K28-H44 PolarHBondContact O-N 3.17Å; L30-H44 HydrophobicContact CD1-CB 3.65Å; L30-H44 HydrophobicContact CD2-CB 4.18Å; L30-H44 HydrophobicContact CG-CB 3.81Å; H44-W48 PolarHBondContact CE1-O 3.03Å; H44-D53 IonicContact CE1-OD1 3.16Å; H44-D53 IonicContact CG-OD1 2.75Å; H44-D53 IonicContact ND1-OD1 2.77Å; H44-D53 PolarHBondContact ND1-OD1 3.45Å; H44-D53 IonicContact ND1-OD2 3.65Å
45Y95.6Very high90.8Very high0 Ų072.9 Ų72.90%037%0.365CS..EExtended strand (participates in β ladder)trans-82.5131.2179.7-62.4-83.1000111C18 F19 H20 A27 V43 G47 W48 E54 R60C18-Y45 HydrophobicContact CB-CE1 3.79Å; F19-Y45 PolarHBondContact O-OH 3.42Å; H20-Y45 HydrophobicContact CB-CE1 3.9Å; H20-Y45 AromaticContact CD2-CE2 3.75Å; H20-Y45 AromaticContact CD2-CZ 3.69Å; A27-Y45 HydrophobicContact CB-CD1 4.1Å; V43-Y45 HydrophobicContact CG2-CE2 4.33Å; Y45-G47 PolarHBondContact O-N 3.45Å; Y45-W48 HydrophobicContact CD2-CE3 4.32Å; Y45-W48 HydrophobicContact CG-CD2 4.32Å; Y45-W48 HydrophobicContact CG-CE3 4.32Å; Y45-W48 WeakPolarHBondContact O-CB 3.46Å; Y45-W48 PolarHBondContact O-N 2.79Å; Y45-W48 VanDerWaalsContact O-N 3.09Å; Y45-E54 HydrophobicContact CE2-CG 4.14Å; Y45-E54 WeakPolarHBondContact CE2-OE1 3.37Å; Y45-E54 PolarHBondContact OH-OE1 3.19Å; Y45-R60 PolarHBondContact OH-NH2 3.38Å
46Q93.2Very high91.2Very high116 Ų11668.8 Ų68.854%0.54235%0.347SS..THydrogen-bonded Turntrans-66.9125.1-174.7177.360.8-6.200111.4E26 W48E26-Q46 HydrophobicContact CB-CB 4.08Å; E26-Q46 HydrophobicContact CG-CB 3.91Å; E26-Q46 HydrophobicContact CG-CG 4.38Å; E26-Q46 WeakPolarHBondContact O-CB 3.4Å; E26-Q46 PolarHBondContact O-N 3.02Å; Q46-W48 VanDerWaalsContact C-N 3.31Å; Q46-W48 VanDerWaalsContact O-CD1 3.26Å
47G91.8Very high91.6Very high75 Ų7562.6 Ų62.677%0.77332%0.323SS*.THydrogen-bonded Turntrans80.96.1-177.300000114.5Y45Y45-G47 PolarHBondContact O-N 3.45Å
48W89.2Confident92.2Very high74 Ų7457.9 Ų57.928%0.2830%0.298SS..SBendtrans-102.6161.2-179.7-6537.6000110.7Y25 H44 Y45 Q46 W52Y25-W48 AromaticContact CD1-CZ2 3.69Å; Y25-W48 HydrophobicContact CD1-CZ2 3.69Å; Y25-W48 HydrophobicContact CD2-CH2 4.38Å; Y25-W48 HydrophobicContact CD2-CZ2 4.19Å; Y25-W48 HydrophobicContact CE1-CH2 4.36Å; Y25-W48 AromaticContact CE1-CZ2 3.61Å; Y25-W48 HydrophobicContact CE1-CZ2 3.61Å; Y25-W48 HydrophobicContact CE2-CH2 4.14Å; Y25-W48 HydrophobicContact CE2-CZ2 4.12Å; Y25-W48 AromaticContact CG-CZ2 3.97Å; Y25-W48 HydrophobicContact CG-CZ2 3.97Å; Y25-W48 AromaticContact CZ-CZ2 3.81Å; H44-W48 PolarHBondContact CE1-O 3.03Å; Y45-W48 HydrophobicContact CD2-CE3 4.32Å; Y45-W48 HydrophobicContact CG-CD2 4.32Å; Y45-W48 HydrophobicContact CG-CE3 4.32Å; Y45-W48 WeakPolarHBondContact O-CB 3.46Å; Y45-W48 PolarHBondContact O-N 2.79Å; Y45-W48 VanDerWaalsContact O-N 3.09Å; Q46-W48 VanDerWaalsContact C-N 3.31Å; Q46-W48 VanDerWaalsContact O-CD1 3.26Å; W48-W52 HydrophobicContact CE3-CB 4.17Å; W48-W52 HydrophobicContact CE3-CD2 4.39Å; W48-W52 HydrophobicContact CE3-CG 4.07Å
49N85.6Confident92.3Very high104 Ų10464.7 Ų64.756%0.55632%0.322SS*.  trans-72.4142.4175.2-174.3-45.8000110.3N51 W52N49-N51 VanDerWaalsContact CB-OD1 3.28Å; N49-N51 WeakPolarHBondContact CB-OD1 3.41Å; N49-N51 VanDerWaalsContact CG-OD1 3.32Å; N49-N51 PolarHBondContact O-N 3.24Å; N49-N51 PolarHBondContact O-OD1 3.43Å; N49-N51 PolarHBondContact OD1-N 3.42Å; N49-N51 PolarHBondContact OD1-OD1 3.37Å; N49-W52 WeakPolarHBondContact O-CB 3.38Å; N49-W52 PolarHBondContact O-N 3.48Å
50K88.1Confident92.3Very high164 Ų16464.8 Ų64.871%0.71332%0.321SS*.G310 helixtrans-55.7-20.3178.8-61.5-175.9179.7-1760114.6W52 D53K50-W52 PolarHBondContact O-N 3.15Å; K50-D53 VanDerWaalsContact O-CB 3.3Å; K50-D53 WeakPolarHBondContact O-CB 3.4Å; K50-D53 PolarHBondContact O-N 2.67Å; K50-D53 VanDerWaalsContact O-N 3.12Å
51N87.2Confident92.3Very high119 Ų11963 Ų6364%0.63631%0.312SS*.G310 helixtrans-68.4-9.7174.669.3-10.7000114.1N49N49-N51 VanDerWaalsContact CB-OD1 3.28Å; N49-N51 WeakPolarHBondContact CB-OD1 3.41Å; N49-N51 VanDerWaalsContact CG-OD1 3.32Å; N49-N51 PolarHBondContact O-N 3.24Å; N49-N51 PolarHBondContact O-OD1 3.43Å; N49-N51 PolarHBondContact OD1-N 3.42Å; N49-N51 PolarHBondContact OD1-OD1 3.37Å
52W87.7Confident92.2Very high81 Ų8165.8 Ų65.831%0.30732%0.324SS..G310 helixtrans-95.2-1.9172.1-68.1100.8000113.3H20 W48 N49 K50 E54 K89H20-W52 AromaticContact NE2-CE3 3.77Å; H20-W52 AromaticContact NE2-CZ3 3.84Å; W48-W52 HydrophobicContact CE3-CB 4.17Å; W48-W52 HydrophobicContact CE3-CD2 4.39Å; W48-W52 HydrophobicContact CE3-CG 4.07Å; N49-W52 WeakPolarHBondContact O-CB 3.38Å; N49-W52 PolarHBondContact O-N 3.48Å; K50-W52 PolarHBondContact O-N 3.15Å; W52-E54 PolarHBondContact O-N 3.24Å; W52-K89 HydrophobicContact CH2-CD 4.24Å; W52-K89 VanDerWaalsContact CH2-CE 3.42Å; W52-K89 HydrophobicContact CH2-CG 4.1Å; W52-K89 HydrophobicContact CZ2-CD 4.44Å; W52-K89 VanDerWaalsContact CZ2-CE 3.47Å
53D92.7Very high92.1Very high32 Ų3268 Ų6817%0.17133%0.334CS..  trans-64.8132.1176.4-60-3.5000108.7F42 V43 H44 K50F42-D53 HydrophobicContact CE1-CB 3.92Å; F42-D53 HydrophobicContact CE2-CB 4.03Å; F42-D53 HydrophobicContact CZ-CB 3.44Å; F42-D53 VanDerWaalsContact CZ-CB 3.44Å; V43-D53 VanDerWaalsContact O-CA 3.28Å; V43-D53 WeakPolarHBondContact O-CA 3.46Å; H44-D53 IonicContact CE1-OD1 3.16Å; H44-D53 IonicContact CG-OD1 2.75Å; H44-D53 IonicContact ND1-OD1 2.77Å; H44-D53 PolarHBondContact ND1-OD1 3.45Å; H44-D53 IonicContact ND1-OD2 3.65Å; K50-D53 VanDerWaalsContact O-CB 3.3Å; K50-D53 WeakPolarHBondContact O-CB 3.4Å; K50-D53 PolarHBondContact O-N 2.67Å; K50-D53 VanDerWaalsContact O-N 3.12Å
54E93.3Very high92Very high50 Ų5072.4 Ų72.423%0.23435%0.351CS..EExtended strand (participates in β ladder)trans-143.8158.1-171.756.4170150.800111.6H20 F42 V43 Y45 W52 V56 R60H20-E54 IonicContact CD2-OE1 3.74Å; H20-E54 PolarHBondContact CD2-OE1 3.28Å; F42-E54 WeakPolarHBondContact CA-O 3.17Å; F42-E54 WeakPolarHBondContact CD2-O 3.45Å; V43-E54 HydrophobicContact CG2-CG 4Å; V43-E54 WeakPolarHBondContact CG2-O 3.49Å; V43-E54 PolarHBondContact N-O 3.1Å; V43-E54 PolarHBondContact O-N 2.97Å; Y45-E54 HydrophobicContact CE2-CG 4.14Å; Y45-E54 WeakPolarHBondContact CE2-OE1 3.37Å; Y45-E54 PolarHBondContact OH-OE1 3.19Å; W52-E54 PolarHBondContact O-N 3.24Å; E54-V56 HydrophobicContact CG-CG1 3.78Å; E54-R60 IonicContact OE1-CZ 2.85Å; E54-R60 IonicContact OE1-NH1 3.78Å; E54-R60 PolarHBondContact OE1-NH1 3.08Å; E54-R60 IonicContact OE1-NH2 2.71Å; E54-R60 PolarHBondContact OE1-NH2 2.89Å; E54-R60 IonicContact OE2-CZ 2.76Å; E54-R60 IonicContact OE2-NH1 3.96Å; E54-R60 PolarHBondContact OE2-NH1 3.01Å; E54-R60 IonicContact OE2-NH2 2.89Å
55W94.6Very high91.8Very high96 Ų9673.7 Ų73.736%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-86.3123.3169.2-7395.6000109.7D31 K33 M40 Y41 F42D31-W55 HydrophobicContact CB-CH2 3.99Å; K33-W55 HydrophobicContact CB-CE3 4.36Å; K33-W55 HydrophobicContact CB-CH2 3.66Å; K33-W55 HydrophobicContact CB-CZ3 3.51Å; K33-W55 HydrophobicContact CD-CH2 4.47Å; M40-W55 HydrophobicContact CB-CE3 3.79Å; M40-W55 HydrophobicContact CB-CZ3 4.41Å; M40-W55 HydrophobicContact CE-CB 3.89Å; M40-W55 HydrophobicContact CE-CD2 4.29Å; M40-W55 HydrophobicContact CE-CE3 4.33Å; M40-W55 HydrophobicContact CE-CG 4.13Å; Y41-W55 VanDerWaalsContact C-CE3 3.44Å; Y41-W55 CarbonylContact O-C 3.57Å; Y41-W55 WeakPolarHBondContact O-CA 3.43Å; F42-W55 HydrophobicContact CB-CD2 3.95Å; F42-W55 HydrophobicContact CB-CE3 3.91Å; F42-W55 HydrophobicContact CB-CH2 3.79Å; F42-W55 HydrophobicContact CB-CZ2 3.82Å; F42-W55 HydrophobicContact CB-CZ3 3.83Å; F42-W55 AromaticContact CD2-CD1 3.65Å; F42-W55 AromaticContact CD2-CD2 3.89Å; F42-W55 HydrophobicContact CD2-CD2 3.89Å; F42-W55 AromaticContact CD2-CE2 3.67Å; F42-W55 AromaticContact CD2-CG 3.9Å; F42-W55 HydrophobicContact CD2-CG 3.9Å; F42-W55 HydrophobicContact CD2-CZ2 4.27Å; F42-W55 AromaticContact CD2-NE1 3.49Å; F42-W55 AromaticContact CE2-NE1 3.97Å; F42-W55 HydrophobicContact CG-CD2 4.35Å; F42-W55 HydrophobicContact CG-CZ2 4.18Å
56V93.3Very high91.6Very high5 Ų580.5 Ų80.53%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-126.6160.4179.5-57.70000111.3M40 Y41 V43 E54 R60 M61M40-V56 CarbonylContact C-O 3.58Å; M40-V56 WeakPolarHBondContact CA-O 3.19Å; Y41-V56 PolarHBondContact N-O 3.16Å; Y41-V56 PolarHBondContact O-N 3.12Å; V43-V56 HydrophobicContact CB-CG2 4.33Å; V43-V56 HydrophobicContact CG1-CG2 3.61Å; V43-V56 HydrophobicContact CG2-CB 4.44Å; V43-V56 HydrophobicContact CG2-CG1 3.84Å; V43-V56 HydrophobicContact CG2-CG2 3.71Å; E54-V56 HydrophobicContact CG-CG1 3.78Å; V56-R60 HydrophobicContact CB-CB 4.35Å; V56-M61 HydrophobicContact CG2-CG 3.8Å; V56-M61 HydrophobicContact CG2-SD 3.57Å; V56-M61 VanDerWaalsContact CG2-SD 3.57Å
57T92.4Very high91.5Very high60 Ų6081.9 Ų81.937%0.36840%0.398SS..EExtended strand (participates in β ladder)trans-91.7162.8171.655.80000111K59 R60T57-K59 PolarHBondContact O-N 3.47Å; T57-K59 VanDerWaalsContact O-N 3.08Å; T57-R60 PolarHBondContact O-N 2.81Å
58D90.3Very high91.5Very high68 Ų6878.4 Ų78.436%0.36436%0.362SS..G310 helixtrans-54.1-28.1177.870.6-43.6000113.5Y41 R60 M61Y41-D58 HydrophobicContact CE2-CB 4.02Å; D58-R60 PolarHBondContact O-N 3.46Å; D58-M61 PolarHBondContact O-N 3.13Å; D58-M61 VanDerWaalsContact O-O 3.08Å
59K90.7Very high91.6Very high159 Ų15977.2 Ų77.269%0.69136%0.361SS*.G310 helixtrans-58.2-28.5176.2-63.1-177.9-177.9176.10113.9T57T57-K59 PolarHBondContact O-N 3.47Å; T57-K59 VanDerWaalsContact O-N 3.08Å
60R92.5Very high92Very high21 Ų2177.8 Ų77.88%0.07936%0.358CS..G310 helixtrans-89.5-3.9177.3-76.9-177.365.3-169.5-2113.1C18 F19 Y45 E54 V56 T57 D58 L97C18-R60 CarbonylContact C-O 3.59Å; C18-R60 WeakPolarHBondContact CA-O 3.47Å; C18-R60 PolarHBondContact SG-O 3.34Å; F19-R60 HydrophobicContact CB-CB 4.39Å; F19-R60 HydrophobicContact CB-CG 4.5Å; F19-R60 PolarHBondContact N-O 3.09Å; F19-R60 VanDerWaalsContact O-CZ 3.25Å; F19-R60 PolarHBondContact O-NE 2.85Å; F19-R60 PolarHBondContact O-NH2 3.4Å; Y45-R60 PolarHBondContact OH-NH2 3.38Å; E54-R60 IonicContact OE1-CZ 2.85Å; E54-R60 IonicContact OE1-NH1 3.78Å; E54-R60 PolarHBondContact OE1-NH1 3.08Å; E54-R60 IonicContact OE1-NH2 2.71Å; E54-R60 PolarHBondContact OE1-NH2 2.89Å; E54-R60 IonicContact OE2-CZ 2.76Å; E54-R60 IonicContact OE2-NH1 3.96Å; E54-R60 PolarHBondContact OE2-NH1 3.01Å; E54-R60 IonicContact OE2-NH2 2.89Å; V56-R60 HydrophobicContact CB-CB 4.35Å; T57-R60 PolarHBondContact O-N 2.81Å; D58-R60 PolarHBondContact O-N 3.46Å; R60-L97 HydrophobicContact CG-CD1 4.46Å; R60-L97 HydrophobicContact CG-CD2 3.74Å; R60-L97 HydrophobicContact CG-CG 4.02Å
61M93.6Very high92.2Very high2 Ų270.8 Ų70.81%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-120138.5-167.1-60.8169.172.200111.7Y10 L16 L17 Y41 V43 V56 D58Y10-M61 HydrophobicContact CD2-CB 4.35Å; Y10-M61 HydrophobicContact CD2-CE 3.61Å; Y10-M61 HydrophobicContact CD2-SD 4.17Å; Y10-M61 HydrophobicContact CE2-CB 3.61Å; Y10-M61 HydrophobicContact CE2-CE 4.05Å; Y10-M61 HydrophobicContact CE2-SD 4.29Å; Y10-M61 HydrophobicContact CG-CE 3.91Å; Y10-M61 PolarHBondContact OH-O 2.94Å; L16-M61 HydrophobicContact CD1-CB 4.39Å; L16-M61 HydrophobicContact CD1-CE 3.83Å; L16-M61 HydrophobicContact CD1-CG 4.29Å; L16-M61 HydrophobicContact CD2-CE 3.25Å; L16-M61 HydrophobicContact CG-CE 4.16Å; L17-M61 CarbonylContact O-C 3.57Å; L17-M61 WeakPolarHBondContact O-CA 3.47Å; Y41-M61 VanDerWaalsContact CB-SD 3.54Å; Y41-M61 HydrophobicContact CD1-CE 4.08Å; Y41-M61 HydrophobicContact CD1-SD 4.37Å; Y41-M61 HydrophobicContact CD2-CE 4.2Å; Y41-M61 HydrophobicContact CD2-SD 3.42Å; Y41-M61 WeakPolarHBondContact CD2-SD 3.41Å; Y41-M61 HydrophobicContact CE2-SD 4.27Å; Y41-M61 HydrophobicContact CG-CE 3.71Å; Y41-M61 HydrophobicContact CG-SD 3.51Å; Y41-M61 VanDerWaalsContact CG-SD 3.51Å; V43-M61 HydrophobicContact CG1-CE 3.87Å; V43-M61 HydrophobicContact CG1-SD 4.22Å; V56-M61 HydrophobicContact CG2-CG 3.8Å; V56-M61 HydrophobicContact CG2-SD 3.57Å; V56-M61 VanDerWaalsContact CG2-SD 3.57Å; D58-M61 PolarHBondContact O-N 3.13Å; D58-M61 VanDerWaalsContact O-O 3.08Å
62F94.3Very high92.5Very high63 Ų6366.6 Ų66.628%0.27630%0.304SS..EExtended strand (participates in β ladder)trans-129.3146.6176.9-76.5-101.8000109.3Y10 L16 L17 F19 M24 K71Y10-F62 WeakPolarHBondContact OH-CA 3.1Å; Y10-F62 PolarHBondContact OH-N 2.98Å; L16-F62 WeakPolarHBondContact CB-O 3.44Å; L17-F62 HydrophobicContact CB-CB 4.27Å; L17-F62 PolarHBondContact N-O 3.15Å; L17-F62 PolarHBondContact O-N 3.37Å; F19-F62 HydrophobicContact CD2-CD2 4.19Å; F19-F62 AromaticContact CD2-CE2 3.98Å; F19-F62 HydrophobicContact CD2-CE2 3.98Å; F19-F62 AromaticContact CE2-CD2 3.81Å; F19-F62 HydrophobicContact CE2-CD2 3.81Å; F19-F62 AromaticContact CE2-CE2 3.38Å; F19-F62 HydrophobicContact CE2-CE2 3.38Å; F19-F62 HydrophobicContact CE2-CZ 4.22Å; F19-F62 HydrophobicContact CZ-CE2 4.4Å; M24-F62 HydrophobicContact CE-CB 3.54Å; M24-F62 HydrophobicContact CE-CD1 4.5Å; M24-F62 HydrophobicContact CE-CD2 3.84Å; M24-F62 HydrophobicContact CE-CG 3.68Å; F62-K71 HydrophobicContact CD1-CD 4.27Å; F62-K71 HydrophobicContact CE1-CD 3.89Å; F62-K71 HydrophobicContact CZ-CD 4.22Å
63K94.2Very high92.6Very high101 Ų10169.5 Ų69.544%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-62.7144.5174.6-74.2-169.5170.3-165.50110.4Y10 N65Y10-K63 HydrophobicContact CE1-CG 3.69Å; K63-N65 PolarHBondContact O-N 2.89Å; K63-N65 PolarHBondContact O-OD1 3.3Å
64Y93.8Very high92.5Very high94 Ų9469 Ų6937%0.36932%0.316SS..SBendtrans-77.179171.7-166.9-88.8000109.3K15 L17 E26 L69K15-Y64 HydrophobicContact CD-CD1 4.34Å; K15-Y64 HydrophobicContact CD-CD2 4.43Å; K15-Y64 HydrophobicContact CD-CG 4.31Å; K15-Y64 HydrophobicContact CG-CD2 4.29Å; K15-Y64 HydrophobicContact CG-CG 4.17Å; K15-Y64 WeakPolarHBondContact O-CB 3.36Å; L17-Y64 HydrophobicContact CD2-CD2 3.73Å; L17-Y64 HydrophobicContact CD2-CE2 4.02Å; L17-Y64 HydrophobicContact CG-CD2 3.93Å; E26-Y64 HydrophobicContact CG-CE2 4.29Å; Y64-L69 HydrophobicContact CE1-CD1 4.46Å; Y64-L69 HydrophobicContact CE2-CD2 3.92Å
65N93.6Very high92.3Very high63 Ų6366.7 Ų66.734%0.33731%0.305SS..SBendtrans-135.8178.7178.868.9-4.7000110.4K63 E67 G68 L69K63-N65 PolarHBondContact O-N 2.89Å; K63-N65 PolarHBondContact O-OD1 3.3Å; N65-E67 VanDerWaalsContact C-N 3.29Å; N65-E67 PolarHBondContact O-N 2.63Å; N65-E67 PolarHBondContact OD1-N 3.03Å; N65-G68 PolarHBondContact O-N 2.91Å; N65-G68 PolarHBondContact OD1-N 3.36Å; N65-L69 WeakPolarHBondContact O-CB 3.49Å; N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.39Å; N65-L69 PolarHBondContact O-N 3.35Å
66E91.2Very high92.1Very high144 Ų14465.1 Ų65.167%0.67330%0.301SS*.Hα-helixtrans-57.7-39.1-179-66.1-171.6179.400113.6L69 K70E66-L69 PolarHBondContact O-N 2.96Å; E66-K70 WeakPolarHBondContact O-CB 3.31Å; E66-K70 VanDerWaalsContact O-CG 3.23Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 3.15Å
67E91.4Very high91.8Very high145 Ų14572.7 Ų72.768%0.67833%0.329SS*.Hα-helixtrans-65.8-46178.6-64.2-178.1159.700111.7N65 L69 K70 K71N65-E67 VanDerWaalsContact C-N 3.29Å; N65-E67 PolarHBondContact O-N 2.63Å; N65-E67 PolarHBondContact OD1-N 3.03Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.24Å; E67-K70 PolarHBondContact O-N 3.03Å; E67-K71 PolarHBondContact O-N 3.41Å
68G91.4Very high91.6Very high2 Ų270.1 Ų70.12%0.02131%0.313CS..Hα-helixtrans-60.9-43.4175.500000111.9L17 N65 K71 Q72L17-G68 WeakPolarHBondContact CD1-O 2.96Å; N65-G68 PolarHBondContact O-N 2.91Å; N65-G68 PolarHBondContact OD1-N 3.36Å; G68-K71 WeakPolarHBondContact O-CB 3.33Å; G68-K71 PolarHBondContact O-N 3.39Å; G68-Q72 PolarHBondContact O-N 3.39Å
69L92.4Very high91.2Very high49 Ų4968.5 Ų68.526%0.25730%0.304SS..Hα-helixtrans-67.2-37.1177.3-70.2171000112.3L17 Y64 N65 E66 E67 Q72 K73L17-L69 HydrophobicContact CD1-CD2 4.3Å; L17-L69 HydrophobicContact CD1-CG 4.49Å; Y64-L69 HydrophobicContact CE1-CD1 4.46Å; Y64-L69 HydrophobicContact CE2-CD2 3.92Å; N65-L69 WeakPolarHBondContact O-CB 3.49Å; N65-L69 VanDerWaalsContact O-CG 3.31Å; N65-L69 WeakPolarHBondContact O-CG 3.39Å; N65-L69 PolarHBondContact O-N 3.35Å; E66-L69 PolarHBondContact O-N 2.96Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.24Å; L69-Q72 PolarHBondContact O-N 3.47Å; L69-K73 WeakPolarHBondContact O-CG 3.47Å; L69-K73 PolarHBondContact O-N 3.3Å
70K93.1Very high90.7Very high116 Ų11670.3 Ų70.350%0.50431%0.307SS..Hα-helixtrans-62.7-42.7171.9-76.5171.5-176.1171.60111E66 E67 K73 E74 L110E66-K70 WeakPolarHBondContact O-CB 3.31Å; E66-K70 VanDerWaalsContact O-CG 3.23Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 3.15Å; E67-K70 PolarHBondContact O-N 3.03Å; K70-K73 PolarHBondContact O-N 2.96Å; K70-E74 WeakPolarHBondContact O-CB 3.47Å; K70-E74 PolarHBondContact O-N 3.24Å; K70-L110 HydrophobicContact CB-CD2 3.84Å
71K92.6Very high90.3Very high16 Ų1672.9 Ų72.97%0.0733%0.328CS..Hα-helixtrans-61.6-44.9175.5-162.2170.6-168.8163.40112.1M24 F62 E67 G68 E74 L75 V106 E107 L110M24-K71 HydrophobicContact SD-CB 4.13Å; M24-K71 HydrophobicContact SD-CD 4.13Å; M24-K71 HydrophobicContact SD-CG 3.92Å; F62-K71 HydrophobicContact CD1-CD 4.27Å; F62-K71 HydrophobicContact CE1-CD 3.89Å; F62-K71 HydrophobicContact CZ-CD 4.22Å; E67-K71 PolarHBondContact O-N 3.41Å; G68-K71 WeakPolarHBondContact O-CB 3.33Å; G68-K71 PolarHBondContact O-N 3.39Å; K71-E74 PolarHBondContact O-N 3.43Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.39Å; K71-L75 PolarHBondContact O-N 3.47Å; K71-V106 HydrophobicContact CG-CG1 3.74Å; K71-E107 IonicContact NZ-OE1 3.93Å; K71-E107 PolarHBondContact NZ-OE1 2.97Å; K71-E107 VanDerWaalsContact NZ-OE1 3.09Å; K71-L110 HydrophobicContact CB-CD1 3.96Å; K71-L110 HydrophobicContact CG-CD1 4.25Å
72Q92.5Very high89.6Confident31 Ų3175.8 Ų75.815%0.14536%0.358CS..Hα-helixtrans-58.3-51.6174.5-178.5-178.738.200111.8M24 G68 L69 E74 L75 E76M24-Q72 HydrophobicContact CB-CB 4.23Å; M24-Q72 HydrophobicContact CB-CG 4.22Å; M24-Q72 PolarHBondContact O-NE2 3.27Å; G68-Q72 PolarHBondContact O-N 3.39Å; L69-Q72 PolarHBondContact O-N 3.47Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 3.45Å; Q72-L75 PolarHBondContact O-N 2.94Å; Q72-E76 WeakPolarHBondContact O-CG 3.5Å; Q72-E76 PolarHBondContact O-N 2.97Å
73K91Very high88.8Confident143 Ų14380 Ų8062%0.62238%0.376SS*.Hα-helixtrans-60.5-38.5179.6-75.2-179.5-179.8-178.40113L69 K70 E76 R77L69-K73 WeakPolarHBondContact O-CG 3.47Å; L69-K73 PolarHBondContact O-N 3.3Å; K70-K73 PolarHBondContact O-N 2.96Å; K73-E76 PolarHBondContact O-N 2.86Å; K73-R77 PolarHBondContact O-N 3.32Å
74E90.8Very high88Confident22 Ų2275.7 Ų75.710%0.10336%0.359CS..Hα-helixtrans-71.5-39179.5-173.452.4-147.200112.1K70 K71 Q72 E76 R77 Q78 V106 T109K70-E74 WeakPolarHBondContact O-CB 3.47Å; K70-E74 PolarHBondContact O-N 3.24Å; K71-E74 PolarHBondContact O-N 3.43Å; Q72-E74 VanDerWaalsContact C-N 3.32Å; Q72-E74 PolarHBondContact O-N 3.45Å; E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.42Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.88Å; E74-R77 VanDerWaalsContact O-N 3.15Å; E74-R77 IonicContact OE1-NE 3.91Å; E74-R77 WeakPolarHBondContact OE2-CD 3.23Å; E74-R77 IonicContact OE2-CZ 2.69Å; E74-R77 IonicContact OE2-NE 3.77Å; E74-R77 PolarHBondContact OE2-NE 3.15Å; E74-R77 IonicContact OE2-NH2 3.29Å; E74-Q78 WeakPolarHBondContact O-CG 3.47Å; E74-Q78 PolarHBondContact O-N 3.23Å; E74-V106 HydrophobicContact CB-CG1 4.13Å; E74-V106 HydrophobicContact CG-CB 4.44Å; E74-V106 HydrophobicContact CG-CG1 4.1Å; E74-V106 HydrophobicContact CG-CG2 4.13Å; E74-T109 HydrophobicContact CG-CG2 4.43Å
75L89.3Confident87.3Confident1 Ų177.6 Ų77.61%0.00537%0.369CS..Hα-helixtrans-59.8-42171.8-74.4162.9000111.9F19 L23 M24 K71 Q72 R77 Q78 I79 P98 V102 V106F19-L75 HydrophobicContact CE1-CD1 3.48Å; F19-L75 VanDerWaalsContact CE1-CD1 3.48Å; F19-L75 HydrophobicContact CZ-CD1 3.92Å; L23-L75 HydrophobicContact CD2-CB 4.1Å; M24-L75 HydrophobicContact CG-CD1 3.75Å; M24-L75 HydrophobicContact SD-CD1 3.72Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.39Å; K71-L75 PolarHBondContact O-N 3.47Å; Q72-L75 PolarHBondContact O-N 2.94Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 2.88Å; L75-Q78 PolarHBondContact O-N 2.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 2.94Å; L75-P98 HydrophobicContact CD2-CB 4.42Å; L75-P98 HydrophobicContact CD2-CG 4.15Å; L75-V102 HydrophobicContact CD2-CG1 3.85Å; L75-V106 HydrophobicContact CD2-CG2 3.81Å; L75-V106 HydrophobicContact CG-CG2 4.06Å
76E88.7Confident86.4Confident62 Ų6279.8 Ų79.829%0.2938%0.384SS..Hα-helixtrans-61.4-40.4173.8-71.9177.7-168.300112.3L23 Q72 K73 E74 I79 R80L23-E76 HydrophobicContact CD2-CG 3.93Å; Q72-E76 WeakPolarHBondContact O-CG 3.5Å; Q72-E76 PolarHBondContact O-N 2.97Å; K73-E76 PolarHBondContact O-N 2.86Å; E74-E76 VanDerWaalsContact C-N 3.31Å; E74-E76 PolarHBondContact O-N 3.42Å; E76-I79 PolarHBondContact O-N 2.99Å; E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.26Å; E76-R80 IonicContact OE2-NH2 3.51Å; E76-R80 PolarHBondContact OE2-NH2 2.99Å
77R88.8Confident85.6Confident164 Ų16474.2 Ų74.262%0.61936%0.359SS*.Hα-helixtrans-61.9-43175.4-169-161.1-59.4-99.5-2111.4K73 E74 L75 I79 R80 S81K73-R77 PolarHBondContact O-N 3.32Å; E74-R77 WeakPolarHBondContact O-CB 3.39Å; E74-R77 PolarHBondContact O-N 2.88Å; E74-R77 VanDerWaalsContact O-N 3.15Å; E74-R77 IonicContact OE1-NE 3.91Å; E74-R77 WeakPolarHBondContact OE2-CD 3.23Å; E74-R77 IonicContact OE2-CZ 2.69Å; E74-R77 IonicContact OE2-NE 3.77Å; E74-R77 PolarHBondContact OE2-NE 3.15Å; E74-R77 IonicContact OE2-NH2 3.29Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 2.88Å; R77-I79 PolarHBondContact O-N 2.83Å; R77-R80 PolarHBondContact O-N 2.84Å; R77-S81 PolarHBondContact O-N 3.08Å; R77-S81 PolarHBondContact O-OG 3.09Å
78Q86.3Confident84.7Confident6 Ų675.5 Ų75.53%0.02836%0.358CS..Hα-helixtrans-65.6-38.4179.3-68.7-1705.500112.5E74 L75 S81 G82 K83 V84E74-Q78 WeakPolarHBondContact O-CG 3.47Å; E74-Q78 PolarHBondContact O-N 3.23Å; L75-Q78 PolarHBondContact O-N 2.89Å; Q78-S81 WeakPolarHBondContact CA-OG 3.38Å; Q78-S81 PolarHBondContact O-N 2.69Å; Q78-S81 PolarHBondContact O-OG 3.05Å; Q78-G82 PolarHBondContact O-N 2.92Å; Q78-K83 HydrophobicContact CB-CB 4.48Å; Q78-K83 PolarHBondContact O-N 3.17Å; Q78-K83 VanDerWaalsContact O-N 3.08Å; Q78-V84 HydrophobicContact CB-CG2 3.94Å
79I82Confident83.7Confident34 Ų3482.8 Ų82.817%0.17439%0.389CS..Hα-helixtrans-62.5-46.9171.3-68.6-83.7000110.7P22 L23 L75 E76 R77 S81 G82 V84 V86P22-I79 HydrophobicContact CB-CD1 4.03Å; P22-I79 HydrophobicContact CG-CD1 4.07Å; L23-I79 HydrophobicContact CD2-CG1 3.94Å; L23-I79 HydrophobicContact CG-CG1 4.34Å; L75-I79 WeakPolarHBondContact O-CG1 3.48Å; L75-I79 PolarHBondContact O-N 2.94Å; E76-I79 PolarHBondContact O-N 2.99Å; R77-I79 PolarHBondContact O-N 2.83Å; I79-S81 VanDerWaalsContact C-N 3.32Å; I79-S81 PolarHBondContact O-N 3.24Å; I79-G82 PolarHBondContact O-N 2.76Å; I79-V84 HydrophobicContact CD1-CB 3.49Å; I79-V84 VanDerWaalsContact CD1-CB 3.49Å; I79-V84 HydrophobicContact CD1-CG1 3.49Å; I79-V84 VanDerWaalsContact CD1-CG1 3.49Å; I79-V84 HydrophobicContact CG1-CB 4.03Å; I79-V84 HydrophobicContact CG1-CG1 4.35Å; I79-V86 HydrophobicContact CG2-CG2 4.37Å
80R80.8Confident82.7Confident198 Ų19884.7 Ų84.775%0.74741%0.406SS*.Hα-helixtrans-63-35.7179.4-72.9178.8-163.316112.5113E76 R77 G82E76-R80 WeakPolarHBondContact O-CG 3.43Å; E76-R80 PolarHBondContact O-N 3.26Å; E76-R80 IonicContact OE2-NH2 3.51Å; E76-R80 PolarHBondContact OE2-NH2 2.99Å; R77-R80 PolarHBondContact O-N 2.84Å; R80-G82 PolarHBondContact O-N 2.85Å
81S84.1Confident81.8Confident74 Ų7481.5 Ų81.552%0.51739%0.393SS..THydrogen-bonded Turntrans-75.5-3.4175.364.60000114.1R77 Q78 I79 K83R77-S81 PolarHBondContact O-N 3.08Å; R77-S81 PolarHBondContact O-OG 3.09Å; Q78-S81 WeakPolarHBondContact CA-OG 3.38Å; Q78-S81 PolarHBondContact O-N 2.69Å; Q78-S81 PolarHBondContact O-OG 3.05Å; I79-S81 VanDerWaalsContact C-N 3.32Å; I79-S81 PolarHBondContact O-N 3.24Å; S81-K83 VanDerWaalsContact C-N 3.28Å; S81-K83 PolarHBondContact O-N 3.36Å
82G79.6Confident80.8Confident63 Ų6382.2 Ų82.265%0.64940%0.398SS*.THydrogen-bonded Turntrans77.67.4-179.700000114.7Q78 I79 R80 V84Q78-G82 PolarHBondContact O-N 2.92Å; I79-G82 PolarHBondContact O-N 2.76Å; R80-G82 PolarHBondContact O-N 2.85Å; G82-V84 VanDerWaalsContact C-N 3.25Å; G82-V84 PolarHBondContact O-N 2.89Å
83K77.6Confident79.6Confident151 Ų15188.8 Ų88.866%0.65743%0.426SS*.SBendtrans-69.2-25.2176.3-70.6-176.3178.1-174.70112.9Q78 S81Q78-K83 HydrophobicContact CB-CB 4.48Å; Q78-K83 PolarHBondContact O-N 3.17Å; Q78-K83 VanDerWaalsContact O-N 3.08Å; S81-K83 VanDerWaalsContact C-N 3.28Å; S81-K83 PolarHBondContact O-N 3.36Å
84V77.2Confident78.8Confident11 Ų1186.9 Ų86.97%0.06743%0.43CS..SBendtrans-120.2129.3-178.5-172.60000109.4P22 Q78 I79 G82 V102P22-V84 HydrophobicContact CB-CG1 3.78Å; Q78-V84 HydrophobicContact CB-CG2 3.94Å; I79-V84 HydrophobicContact CD1-CB 3.49Å; I79-V84 VanDerWaalsContact CD1-CB 3.49Å; I79-V84 HydrophobicContact CD1-CG1 3.49Å; I79-V84 VanDerWaalsContact CD1-CG1 3.49Å; I79-V84 HydrophobicContact CG1-CB 4.03Å; I79-V84 HydrophobicContact CG1-CG1 4.35Å; G82-V84 VanDerWaalsContact C-N 3.25Å; G82-V84 PolarHBondContact O-N 2.89Å; V84-V102 HydrophobicContact CG2-CB 4.33Å; V84-V102 HydrophobicContact CG2-CG1 3.67Å; V84-V102 HydrophobicContact CG2-CG2 3.63Å
85K78.2Confident78.1Confident134 Ų13488.7 Ų88.758%0.58344%0.439SS*.PPolyproline II helixtrans-71.9134179.1-175.3-176.6172.4-160.10110.6L87 E91K85-L87 PolarHBondContact O-N 2.76Å; K85-E91 IonicContact NZ-OE1 3.01Å; K85-E91 PolarHBondContact NZ-OE1 3.27Å
86V76Confident77.7Confident110 Ų11090.4 Ų90.467%0.66745%0.451SS*.PPolyproline II helixtrans-70.3117.7169.3-178.60000108.8I79I79-V86 HydrophobicContact CG2-CG2 4.37Å
87L73Confident77.4Confident27 Ų2790.1 Ų90.114%0.14145%0.451CS..PPolyproline II helixtrans-81.2143.5-178.8-64.4-178.9000111.4K85 E91 L92 Q95K85-L87 PolarHBondContact O-N 2.76Å; L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.12Å; L87-L92 HydrophobicContact CB-CD1 3.8Å; L87-L92 HydrophobicContact CD1-CD1 4.15Å; L87-Q95 HydrophobicContact CD1-CB 3.96Å; L87-Q95 HydrophobicContact CD1-CG 3.95Å
88R73.7Confident77Confident172 Ų17282.5 Ų82.565%0.64942%0.423SS*.PPolyproline II helixtrans-73.5160.1168.7-62.7-172.7-179.8101.7-3.8110.7S90 E91 L92R88-S90 PolarHBondContact O-N 3.39Å; R88-S90 VanDerWaalsContact O-N 3.13Å; R88-E91 HydrophobicContact CB-CG 4.48Å; R88-E91 WeakPolarHBondContact CB-OE2 3.36Å; R88-E91 WeakPolarHBondContact CG-OE2 3.49Å; R88-E91 PolarHBondContact N-OE2 2.93Å; R88-E91 PolarHBondContact O-N 3.13Å; R88-L92 PolarHBondContact O-N 3.39Å
89K70.4Confident76.7Confident154 Ų15484.3 Ų84.367%0.6744%0.435SS*.Hα-helixtrans-52.5-36.5178.4-171.7174.7177.3173.60113.5W52W52-K89 HydrophobicContact CH2-CD 4.24Å; W52-K89 VanDerWaalsContact CH2-CE 3.42Å; W52-K89 HydrophobicContact CH2-CG 4.1Å; W52-K89 HydrophobicContact CZ2-CD 4.44Å; W52-K89 VanDerWaalsContact CZ2-CE 3.47Å
90S70.1Confident76.7Confident90 Ų9088.4 Ų88.463%0.62946%0.457SS*.Hα-helixtrans-68.4-44.6176.150.10000112.4R88 L92 K93R88-S90 PolarHBondContact O-N 3.39Å; R88-S90 VanDerWaalsContact O-N 3.13Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.44Å; S90-K93 PolarHBondContact O-N 3.5Å
91E74.9Confident76.9Confident49 Ų4985.1 Ų85.123%0.22945%0.45CS..Hα-helixtrans-67.2-32.7177.9-63.5168.7131.100111.4K85 L87 R88 K93 S94 Q95K85-E91 IonicContact NZ-OE1 3.01Å; K85-E91 PolarHBondContact NZ-OE1 3.27Å; L87-E91 HydrophobicContact CB-CB 4.13Å; L87-E91 HydrophobicContact CD2-CB 4.12Å; R88-E91 HydrophobicContact CB-CG 4.48Å; R88-E91 WeakPolarHBondContact CB-OE2 3.36Å; R88-E91 WeakPolarHBondContact CG-OE2 3.49Å; R88-E91 PolarHBondContact N-OE2 2.93Å; R88-E91 PolarHBondContact O-N 3.13Å; E91-K93 PolarHBondContact O-N 2.9Å; E91-S94 PolarHBondContact O-N 2.71Å; E91-S94 PolarHBondContact O-OG 2.86Å; E91-Q95 WeakPolarHBondContact O-CB 3.4Å; E91-Q95 PolarHBondContact O-N 2.65Å
92L72.1Confident76.8Confident30 Ų3082.3 Ų82.316%0.15743%0.43CS..Hα-helixtrans-62.2-30.5179.5-143.167.7000112.7H20 L87 R88 S90 Q95H20-L92 WeakPolarHBondContact CE1-CD2 3.18Å; H20-L92 WeakPolarHBondContact ND1-CD2 3.38Å; L87-L92 HydrophobicContact CB-CD1 3.8Å; L87-L92 HydrophobicContact CD1-CD1 4.15Å; R88-L92 PolarHBondContact O-N 3.39Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.44Å; L92-Q95 CarbonylContact O-C 3.35Å; L92-Q95 VanDerWaalsContact O-O 3.1Å
93K67.9Low77Confident169 Ų16980.4 Ų80.474%0.73540%0.404SS*.Hα-helixtrans-76.1-34.3177.9-164174.3-175.7-177.60112.1S90 E91S90-K93 PolarHBondContact O-N 3.5Å; E91-K93 PolarHBondContact O-N 2.9Å
94S73.5Confident77.4Confident103 Ų10379.3 Ų79.372%0.7240%0.4SS*.Hα-helixtrans-79.9-30.6175.349.40000113E91E91-S94 PolarHBondContact O-N 2.71Å; E91-S94 PolarHBondContact O-OG 2.86Å
95Q76.8Confident77.8Confident60 Ų6081.9 Ų81.928%0.2841%0.413SS..  trans-118.891.7-177.2-176.5174.13.500109.1G21 L87 E91 L92 L97G21-Q95 VanDerWaalsContact CA-O 3.29Å; G21-Q95 WeakPolarHBondContact CA-O 3.27Å; L87-Q95 HydrophobicContact CD1-CB 3.96Å; L87-Q95 HydrophobicContact CD1-CG 3.95Å; E91-Q95 WeakPolarHBondContact O-CB 3.4Å; E91-Q95 PolarHBondContact O-N 2.65Å; L92-Q95 CarbonylContact O-C 3.35Å; L92-Q95 VanDerWaalsContact O-O 3.1Å; Q95-L97 WeakPolarHBondContact CG-O 3.41Å; Q95-L97 PolarHBondContact NE2-O 2.99Å
96S80.4Confident78.1Confident38 Ų3875.5 Ų75.527%0.26639%0.385SS..  trans-86.9-12.4-178.759.40000114G21G21-S96 PolarHBondContact N-O 3.18Å
97L81.8Confident78.6Confident56 Ų5674.7 Ų74.729%0.29337%0.374SS..SBendtrans-123.1152.4178.6-73.1171.2000111.2F19 G21 R60 Q95F19-L97 HydrophobicContact CB-CD2 3.72Å; F19-L97 HydrophobicContact CD2-CD2 3.59Å; F19-L97 HydrophobicContact CE2-CD2 4.3Å; F19-L97 HydrophobicContact CG-CD2 3.71Å; G21-L97 CarbonylContact O-C 3.51Å; R60-L97 HydrophobicContact CG-CD1 4.46Å; R60-L97 HydrophobicContact CG-CD2 3.74Å; R60-L97 HydrophobicContact CG-CG 4.02Å; Q95-L97 WeakPolarHBondContact CG-O 3.41Å; Q95-L97 PolarHBondContact NE2-O 2.99Å
98P80Confident79.3Confident4 Ų481.9 Ų81.93%0.02640%0.4CS..  trans-62.7155.7170.8-11.624.5000110.9F19 G21 L75 V102 L103F19-P98 VanDerWaalsContact CD1-CD 3.49Å; F19-P98 HydrophobicContact CD1-CG 3.71Å; F19-P98 HydrophobicContact CE1-CG 3.35Å; F19-P98 HydrophobicContact CZ-CG 4.18Å; G21-P98 WeakPolarHBondContact O-CD 3.47Å; L75-P98 HydrophobicContact CD2-CB 4.42Å; L75-P98 HydrophobicContact CD2-CG 4.15Å; P98-V102 HydrophobicContact CB-CB 4.42Å; P98-V102 HydrophobicContact CB-CG1 4.13Å; P98-L103 HydrophobicContact CB-CD2 4.28Å; P98-L103 HydrophobicContact CB-CG 4.19Å; P98-L103 HydrophobicContact CG-CD2 3.9Å; P98-L103 HydrophobicContact CG-CG 4.29Å
99P80.1Confident79.9Confident44 Ų4477.9 Ų77.929%0.28639%0.394SS..  trans-51.6147.1172.1-23.432.7000112.1E101 V102 L103P99-E101 PolarHBondContact O-N 3.25Å; P99-V102 HydrophobicContact CB-CG2 4.03Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CB 3.46Å; P99-V102 PolarHBondContact O-N 3.4Å; P99-V102 VanDerWaalsContact O-N 3.13Å; P99-L103 PolarHBondContact O-N 3.45Å; P99-L103 VanDerWaalsContact O-N 3.15Å
100L83.3Confident80.6Confident119 Ų11973.8 Ų73.862%0.62338%0.379SS*.Hα-helixtrans-63.7-31.3-175.8-66.1-179.6000112.2L103 K104L100-L103 HydrophobicContact CD2-CD1 4.41Å; L100-L103 PolarHBondContact O-N 2.88Å; L100-K104 WeakPolarHBondContact O-CG 3.39Å; L100-K104 PolarHBondContact O-N 3.13Å
101E83.5Confident81.1Confident130 Ų13076.8 Ų76.861%0.60738%0.381SS*.Hα-helixtrans-60.3-46.3175.1-62.673.8-157.200110.9P99 K104 D105P99-E101 PolarHBondContact O-N 3.25Å; E101-K104 PolarHBondContact O-N 3.24Å; E101-D105 PolarHBondContact O-N 3.25Å
102V82.7Confident80.8Confident15 Ų1579.7 Ų79.79%0.09140%0.404CS..Hα-helixtrans-61.7-46.8178.4174.10000110.3L75 V84 P98 P99 K104 D105 V106L75-V102 HydrophobicContact CD2-CG1 3.85Å; V84-V102 HydrophobicContact CG2-CB 4.33Å; V84-V102 HydrophobicContact CG2-CG1 3.67Å; V84-V102 HydrophobicContact CG2-CG2 3.63Å; P98-V102 HydrophobicContact CB-CB 4.42Å; P98-V102 HydrophobicContact CB-CG1 4.13Å; P99-V102 HydrophobicContact CB-CG2 4.03Å; P99-V102 HydrophobicContact CG-CG2 4.09Å; P99-V102 WeakPolarHBondContact O-CB 3.46Å; P99-V102 PolarHBondContact O-N 3.4Å; P99-V102 VanDerWaalsContact O-N 3.13Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.09Å; V102-D105 PolarHBondContact O-N 2.85Å; V102-V106 VanDerWaalsContact O-CG2 3.28Å; V102-V106 WeakPolarHBondContact O-CG2 3.28Å; V102-V106 PolarHBondContact O-N 2.87Å
103L84Confident80.1Confident22 Ų2283.4 Ų83.412%0.11544%0.439CS..Hα-helixtrans-61.6-40178.5-70.9174.4000112.4F19 P98 P99 L100 V106 E107F19-L103 HydrophobicContact CE1-CD2 4.23Å; F19-L103 HydrophobicContact CE2-CD2 4.43Å; F19-L103 HydrophobicContact CZ-CD2 3.68Å; P98-L103 HydrophobicContact CB-CD2 4.28Å; P98-L103 HydrophobicContact CB-CG 4.19Å; P98-L103 HydrophobicContact CG-CD2 3.9Å; P98-L103 HydrophobicContact CG-CG 4.29Å; P99-L103 PolarHBondContact O-N 3.45Å; P99-L103 VanDerWaalsContact O-N 3.15Å; L100-L103 HydrophobicContact CD2-CD1 4.41Å; L100-L103 PolarHBondContact O-N 2.88Å; L103-V106 PolarHBondContact O-N 2.81Å; L103-E107 WeakPolarHBondContact O-CB 3.46Å; L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.28Å
104K86.2Confident79Confident128 Ų12882.5 Ų82.556%0.55744%0.442SS*.Hα-helixtrans-65.6-41176.4-74.2174.5-178.9178.10112.2L100 E101 V102 E107 R108L100-K104 WeakPolarHBondContact O-CG 3.39Å; L100-K104 PolarHBondContact O-N 3.13Å; E101-K104 PolarHBondContact O-N 3.24Å; V102-K104 VanDerWaalsContact C-N 3.33Å; V102-K104 PolarHBondContact O-N 3.09Å; K104-E107 PolarHBondContact O-N 3.06Å; K104-R108 WeakPolarHBondContact O-CB 3.13Å; K104-R108 WeakPolarHBondContact O-CG 3.35Å; K104-R108 PolarHBondContact O-N 3.3Å
105D85.4Confident77.6Confident66 Ų6683.1 Ų83.135%0.35344%0.442SS..Hα-helixtrans-65.7-41.3177.6-77-8.2000111.7E101 V102 R108 T109E101-D105 PolarHBondContact O-N 3.25Å; V102-D105 PolarHBondContact O-N 2.85Å; D105-R108 PolarHBondContact O-N 2.83Å; D105-T109 WeakPolarHBondContact O-CB 3.24Å; D105-T109 PolarHBondContact O-N 2.85Å; D105-T109 PolarHBondContact O-OG1 3.37Å
106V84.7Confident75.6Confident0 Ų089.8 Ų89.80%047%0.47CS..Hα-helixtrans-60.7-47.3172.91750000110.4K71 E74 L75 V102 L103 R108 T109 L110K71-V106 HydrophobicContact CG-CG1 3.74Å; E74-V106 HydrophobicContact CB-CG1 4.13Å; E74-V106 HydrophobicContact CG-CB 4.44Å; E74-V106 HydrophobicContact CG-CG1 4.1Å; E74-V106 HydrophobicContact CG-CG2 4.13Å; L75-V106 HydrophobicContact CD2-CG2 3.81Å; L75-V106 HydrophobicContact CG-CG2 4.06Å; V102-V106 VanDerWaalsContact O-CG2 3.28Å; V102-V106 WeakPolarHBondContact O-CG2 3.28Å; V102-V106 PolarHBondContact O-N 2.87Å; L103-V106 PolarHBondContact O-N 2.81Å; V106-R108 PolarHBondContact O-N 3.43Å; V106-T109 PolarHBondContact O-N 3.07Å; V106-L110 HydrophobicContact CG1-CD1 3.8Å; V106-L110 HydrophobicContact CG1-CG 4.34Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.45Å; V106-L110 PolarHBondContact O-N 3.5Å
107E87Confident73.4Confident93 Ų9396.1 Ų96.144%0.43550%0.495SS..Hα-helixtrans-64-39.4179.6-76.4171.8-167.700113K71 L103 K104 T109 L110 K111K71-E107 IonicContact NZ-OE1 3.93Å; K71-E107 PolarHBondContact NZ-OE1 2.97Å; K71-E107 VanDerWaalsContact NZ-OE1 3.09Å; L103-E107 WeakPolarHBondContact O-CB 3.46Å; L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.28Å; K104-E107 PolarHBondContact O-N 3.06Å; E107-T109 VanDerWaalsContact C-N 3.32Å; E107-T109 PolarHBondContact O-N 3.42Å; E107-L110 PolarHBondContact O-N 2.91Å; E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.45Å; E107-K111 VanDerWaalsContact O-N 3.11Å
108R87.2Confident70.8Confident178 Ų178102.4 Ų102.467%0.67252%0.523SS*.Hα-helixtrans-61.3-40.8172.9-77.4174173.8178.8-6.6112K104 D105 V106 L110K104-R108 WeakPolarHBondContact O-CB 3.13Å; K104-R108 WeakPolarHBondContact O-CG 3.35Å; K104-R108 PolarHBondContact O-N 3.3Å; D105-R108 PolarHBondContact O-N 2.83Å; V106-R108 PolarHBondContact O-N 3.43Å; R108-L110 VanDerWaalsContact C-N 3.34Å
109T85.5Confident68.6Low87 Ų87111.1 Ų111.153%0.53456%0.563SS.*Hα-helixtrans-69.7-32.1-179.7-540000112.2E74 D105 V106 E107E74-T109 HydrophobicContact CG-CG2 4.43Å; D105-T109 WeakPolarHBondContact O-CB 3.24Å; D105-T109 PolarHBondContact O-N 2.85Å; D105-T109 PolarHBondContact O-OG1 3.37Å; V106-T109 PolarHBondContact O-N 3.07Å; E107-T109 VanDerWaalsContact C-N 3.32Å; E107-T109 PolarHBondContact O-N 3.42Å
110L85.4Confident66Low68 Ų68118 Ų11836%0.35659%0.592SS.*Hα-helixtrans-87.3-14.3-179-65.6178.7000114.3K70 K71 V106 E107 R108K70-L110 HydrophobicContact CB-CD2 3.84Å; K71-L110 HydrophobicContact CB-CD1 3.96Å; K71-L110 HydrophobicContact CG-CD1 4.25Å; V106-L110 HydrophobicContact CG1-CD1 3.8Å; V106-L110 HydrophobicContact CG1-CG 4.34Å; V106-L110 VanDerWaalsContact O-CG 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.45Å; V106-L110 PolarHBondContact O-N 3.5Å; E107-L110 PolarHBondContact O-N 2.91Å; R108-L110 VanDerWaalsContact C-N 3.34Å
111K81.6Confident63.4Low153 Ų153118 Ų11867%0.66560%0.601SS**SBendtrans-63.9130.7177.5-85.8175-177.1-174.90110.3E107 A113E107-K111 WeakPolarHBondContact O-CG 3.43Å; E107-K111 PolarHBondContact O-N 3.45Å; E107-K111 VanDerWaalsContact O-N 3.11Å; K111-A113 PolarHBondContact O-N 3.25Å
112P68.9Low60.8Low111 Ų111117.6 Ų117.672%0.72161%0.61SS**  trans-62139.2174.124.4-31.1000109.8N114P112-N114 PolarHBondContact O-N 3.49Å
113A57Low58Low107 Ų107126.4 Ų126.488%0.88465%0.647SS**SBendtrans-67.222.5-170.400000116.1K111K111-A113 PolarHBondContact O-N 3.25Å
114N43.5Very low55.5Low151 Ų151130.3 Ų130.381%0.80768%0.682SS**  trans-102.819.3-176.6-154.830.5000115P112P112-N114 PolarHBondContact O-N 3.49Å
115V44.5Very low52.5Low116 Ų116133.2 Ų133.270%0.70370%0.695SS**  trans-120.582166.6-172.40000107.8Q117V115-Q117 HydrophobicContact CG1-CG 4.19Å; V115-Q117 PolarHBondContact O-N 3.47Å
116K34.1Very low49.9Very low200 Ų200139.6 Ų139.687%0.8772%0.723SS**  trans-65.690.1159.4-67.9179.3179.3-179.70107
117Q35.2Very low47Very low171 Ų171145 Ų14580%0.79976%0.761SS**  trans-98.8112.7152.3-87.3-178.2-24.600106.1V115 E119V115-Q117 HydrophobicContact CG1-CG 4.19Å; V115-Q117 PolarHBondContact O-N 3.47Å; Q117-E119 PolarHBondContact O-N 2.94Å; Q117-E119 VanDerWaalsContact O-N 3.15Å
118E28Very low44.2Very low188 Ų188150.6 Ų150.688%0.87978%0.783SS**  trans-62.6102.2179.7-63.9167.215900109
119E32.7Very low41.2Very low187 Ų187146.7 Ų146.787%0.87478%0.784SS**  trans-114.392.2155.9-76.3-169.8169.300107.1Q117 S121Q117-E119 PolarHBondContact O-N 2.94Å; Q117-E119 VanDerWaalsContact O-N 3.15Å; E119-S121 PolarHBondContact O-N 3.27Å
120E24.8Very low38.5Very low189 Ų189150.3 Ų150.388%0.88380%0.8SS**  trans-63.3124168.1-80-173.4131.600110.5
121S28.7Very low35.9Very low117 Ų117150.8 Ų150.882%0.81882%0.821SS**  trans-153.2150.3145.7-101.70000111.7E119E119-S121 PolarHBondContact O-N 3.27Å
122P30.4Very low33.1Very low122 Ų122153.1 Ų153.179%0.79283%0.834SS**  trans-89.4150.7-140.932.6-34.6000114.6A124P122-A124 PolarHBondContact O-N 3.08Å
123K23Very low31.4Very low201 Ų201152.4 Ų152.487%0.87484%0.838SS**  trans-46.9123.6166.5-83.1167.3170.7162.60112.5
124A31.1Very low30.1Very low103 Ų103155.2 Ų155.285%0.85184%0.838SS**  trans-117.2108.8144.600000108.4P122P122-A124 PolarHBondContact O-N 3.08Å
125K24.2Very low29.3Very low190 Ų190156.8 Ų156.883%0.82684%0.84SS**  trans-62.7130.1173.9-72.6170.4171.9176.30109.6
126Q29.5Very low28.6Very low199 Ų199160.7 Ų160.793%0.9385%0.848SS**  trans-14799.5139-109.8175.412.700109.4
127S24.2Very low28.3Very low115 Ų115157.1 Ų157.180%0.80485%0.845SS**  trans-67.8130.7169.146.10000111
128K29.4Very low28.1Very low209 Ų209154.9 Ų154.991%0.90985%0.848SS**  trans-148.5109.2148.2-142.4173.8-176.1177.70109.7
129S23.4Very low28Very low97 Ų97152.1 Ų152.168%0.67885%0.845SS**  trans-71.7148.6171.553.50000110.9
130N28.8Very low27.9Very low162 Ų162148.9 Ų148.987%0.86684%0.84SS**  163.4133.5125-85.72.5000110.8
131G29.8Very low28.1Very low78 Ų78146 Ų14680%0.80484%0.835SS**  trans123.168.2155.300000115.7
132E24.6Very low27.9Very low202 Ų202146.1 Ų146.194%0.94483%0.831SS**  trans-62.8129.4148.9-90.6167126.900108.9
133A31.9Very low27.8Very low97 Ų97147.4 Ų147.480%0.80283%0.829SS**  trans-148.9108.7158.800000108.8
134D30Very low27.8Very low165 Ų165146.1 Ų146.188%0.88283%0.827SS**  trans-9.7132.2171.4-70.5-74000121.2
135E26Very low27.6Very low184 Ų184147.2 Ų147.286%0.8682%0.823SS**  trans-60.1136.2154.5-64.8-179.2132.700111.8
136K30.6Very low27.8Very low198 Ų198147.4 Ų147.486%0.86182%0.823SS**  trans-166.8114.6136.8-109.9172-172.2-179.40111.8
137P28Very low27.5Very low126 Ų126147 Ų14782%0.81882%0.821SS**PPolyproline II helixtrans-82.3126.7170.331-29000110.2
138S30.4Very low27.8Very low123 Ų123147.1 Ų147.186%0.8682%0.822SS**PPolyproline II helixtrans-85129.1175.9-62.40000110.6
139T27.3Very low27.6Very low130 Ų130146.4 Ų146.480%0.79882%0.822SS**PPolyproline II helixtrans-73.3150.5176.232.40000112.3
140P29.1Very low27.9Very low119 Ų119149.4 Ų149.477%0.77383%0.83SS**PPolyproline II helixtrans-85.1139.1-178.428-19.4000111.8
141V29.3Very low27.9Very low129 Ų129146.6 Ų146.678%0.78282%0.823SS**PPolyproline II helixtrans-78.9116178.4178.20000109.4I143V141-I143 HydrophobicContact CG1-CD1 4.34Å; V141-I143 HydrophobicContact CG1-CG1 3.8Å
142T24.4Very low28Very low120 Ų120152.6 Ų152.674%0.73683%0.828SS**PPolyproline II helixtrans-84.2119.2165.8-57.60000108.5E144T142-E144 HydrophobicContact CG2-CG 4.2Å
143I29.1Very low28.1Very low148 Ų148147.5 Ų147.576%0.75982%0.82SS**  trans-108.4104.5171.5-57.2178.3000107.1V141V141-I143 HydrophobicContact CG1-CD1 4.34Å; V141-I143 HydrophobicContact CG1-CG1 3.8Å
144E23.2Very low27.9Very low175 Ų175148.2 Ų148.282%0.81882%0.816SS**  trans-111.8109.2166.1-77.7-176.4163.100107.9T142T142-E144 HydrophobicContact CG2-CG 4.2Å
145V26.4Very low28Very low126 Ų126146.2 Ų146.276%0.76482%0.815SS**  trans-148.3114.8161.5-179.70000111.4
146K28.4Very low28.1Very low193 Ų193146.9 Ų146.984%0.83982%0.815SS**  trans56.2111.9145.5-77.7177166.2174.90121.8
147E23.6Very low28.4Very low191 Ų191142.5 Ų142.589%0.89381%0.807SS**  trans-42.5135.4140-64167.8150.800112.7
148S29.4Very low28.3Very low117 Ų117140.7 Ų140.782%0.81880%0.797SS**  trans-131.7114153.8410000107.5
149E26.5Very low28.3Very low194 Ų194143.3 Ų143.391%0.90780%0.796SS**  trans-67.4129.5165.7-59.1177.5137.300108
150D30.1Very low28.6Very low160 Ų160146.3 Ų146.386%0.85680%0.801SS**  trans-142.4135.1146-156.64.8000110
151S28.6Very low28.5Very low103 Ų103146 Ų14672%0.7280%0.801SS**  trans-112.9126.1-162.632.90000108.1
152K30.7Very low28.8Very low205 Ų205148 Ų14889%0.89181%0.808SS**  trans-155.988.1164.5-140170-173.4172.10112
153A26.5Very low29.1Very low95 Ų95148.6 Ų148.679%0.78581%0.807SS**  trans-84.5142.7147.900000107.1
154P28.7Very low29.2Very low112 Ų112147.8 Ų147.873%0.72781%0.808SS**  -153.317391.337.3-18000116.1
155S32.5Very low29.5Very low122 Ų122143.7 Ų143.785%0.85380%0.799SS**  trans107.2121.1150.5760000117.5
156K28.3Very low29.7Very low199 Ų199144.8 Ų144.887%0.86580%0.801SS**  trans-129.6131.8-176.1-175.9-170-168.5-174.10105.7
157P35.2Very low29.7Very low105 Ų105143.2 Ų143.268%0.68280%0.802SS**  trans-112.2125.6148.726.2-10.8000108.1
158S27.5Very low30Very low89 Ų89140 Ų14062%0.62280%0.795SS**  40.3119.385.263.40000110.6
159E29.7Very low30Very low177 Ų177140.4 Ų140.483%0.82779%0.793SS**  cis-171.4151.628.3-97.1154.7-176.900104.6
160E33.9Very low30.1Very low193 Ų193137.8 Ų137.890%0.90279%0.79SS**  171106.3127.2-94.1178.8-178.300109.5
161S27.8Very low30.3Very low112 Ų112134.8 Ų134.878%0.78378%0.781SS**  trans-56.4133.1167.6-61.90000111.1
162N33.8Very low30.5Very low171 Ų171134.9 Ų134.991%0.91478%0.782SS**  trans-144.3107.1140.6-96.7-36.4000110.1
163N30.5Very low30.7Very low133 Ų133136.1 Ų136.171%0.71178%0.781SS**  trans-95.2105-175.3-169.2-9.7000107.2S165N163-S165 PolarHBondContact OD1-OG 3.06Å
164V31.9Very low30.9Very low131 Ų131142.7 Ų142.779%0.79479%0.785SS**  trans-116.389.9163.2179.10000107.3
165S29.5Very low31Very low90 Ų90149.3 Ų149.363%0.62980%0.796SS**  trans-74.2121.8163.8-690000108.8N163N163-S165 PolarHBondContact OD1-OG 3.06Å
166N31.1Very low31Very low149 Ų149153 Ų15380%0.79780%0.797SS**  trans-134.599.9155.8-99.2-17.3000109.2
167N27.3Very low31.2Very low160 Ų160149.1 Ų149.186%0.85679%0.794SS**  trans-66.7122.4165.3-83.2-29.1000109.2
168T29.9Very low31.2Very low123 Ų123155.7 Ų155.776%0.75581%0.806SS**  trans-139.193.2157.2-30000110.5
169T29.2Very low31.4Very low126 Ų126155.3 Ų155.377%0.77381%0.808SS**  trans37.710814056.50000119.1S171T169-S171 PolarHBondContact O-N 2.95Å; T169-S171 VanDerWaalsContact O-N 3.1Å
170V29.5Very low31.4Very low138 Ų138157.4 Ų157.484%0.83681%0.814SS**  trans-48.8103.1155.8-167.80000110.4
171S34.4Very low31.5Very low97 Ų97153.6 Ų153.668%0.67881%0.809SS**  trans-9796.1165.6-168.80000109.2T169 R173T169-S171 PolarHBondContact O-N 2.95Å; T169-S171 VanDerWaalsContact O-N 3.1Å; S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 2.87Å
172S32.4Very low31.6Very low105 Ų105151.4 Ų151.473%0.73480%0.804SS**  trans-61.279.7172.2-53.80000111.3R174S172-R174 PolarHBondContact O-N 3.44Å
173R35.7Very low31.6Very low231 Ų231151.3 Ų151.387%0.87280%0.801SS**  trans-77.677.9168.4-86.3-177.8-172.2155.44111S171S171-R173 VanDerWaalsContact C-N 3.28Å; S171-R173 PolarHBondContact O-N 2.87Å
174R30.5Very low31.9Very low233 Ų233154.1 Ų154.188%0.87981%0.807SS**  trans15.2105137.4-158.3169.9166.5176.1-3.4115.3S172 K176S172-R174 PolarHBondContact O-N 3.44Å; R174-K176 PolarHBondContact O-N 2.75Å
175R30.9Very low32.1Very low251 Ų251151.2 Ų151.295%0.94779%0.793SS**  trans-46.4106.1162.8-71.3176.9135.6121.6-2.6110.1
176K33.1Very low32.7Very low201 Ų201154.3 Ų154.387%0.87480%0.801SS**  trans-96.999.3168-161156.1-174.3167.90107.5R174 R178R174-K176 PolarHBondContact O-N 2.75Å; K176-R178 PolarHBondContact O-N 3.46Å
177S32Very low33.1Very low116 Ų116154.6 Ų154.681%0.81180%0.797SS**  trans-55.795.5168.752.10000109.4
178R33.9Very low33.8Very low244 Ų244152.4 Ų152.492%0.92179%0.785SS**  trans-84.2120.2166.8-164.7167.8-176.6132.9-0.5107.5K176K176-R178 PolarHBondContact O-N 3.46Å
179A31.7Very low34.7Very low81 Ų81151.6 Ų151.667%0.66978%0.776SS**  trans-51.5144.1-175.100000113.1S181A179-S181 PolarHBondContact O-N 3.19Å
180K30.6Very low35.3Very low221 Ų221151.5 Ų151.596%0.96177%0.771SS**  trans-1999.5152.1-73.4170.7170.5176.50112.4
181S35.2Very low36.2Very low112 Ų112149 Ų14978%0.78376%0.759SS**  trans-122.595.7157.767.10000107.7A179 I183A179-S181 PolarHBondContact O-N 3.19Å; S181-I183 PolarHBondContact O-N 3Å
182G30.2Very low36.6Very low66 Ų66148.3 Ų148.368%0.6875%0.748SS**  trans42.172.815700000116.5K184G182-K184 PolarHBondContact O-N 3.01Å
183I34Very low37.5Very low169 Ų169150.3 Ų150.387%0.86775%0.749SS**  trans-66.586.5144.6-60.5172.1000103.8S181 S185S181-I183 PolarHBondContact O-N 3Å; I183-S185 PolarHBondContact O-N 3.45Å
184K36Very low38.2Very low193 Ų193144.4 Ų144.484%0.83974%0.743SS**  trans-59.6113.2171.7-83.8-178.8175.6178.60105.7G182G182-K184 PolarHBondContact O-N 3.01Å
185S36.9Very low39.5Very low70 Ų70136 Ų13649%0.4971%0.713SS.*  trans-21.7128.2169.3-152.20000113.1I183 E187I183-S185 PolarHBondContact O-N 3.45Å; S185-E187 WeakPolarHBondContact CB-OE2 3.44Å; S185-E187 PolarHBondContact O-N 3.37Å; S185-E187 WeakPolarHBondContact OG-CB 3.47Å; S185-E187 WeakPolarHBondContact OG-CG 3.18Å; S185-E187 PolarHBondContact OG-OE2 2.77Å
186I41.6Very low40.8Very low154 Ų154125.7 Ų125.779%0.7968%0.679SS**SBendtrans-65.310.2169.2-87.8158.6000111.9N188I186-N188 PolarHBondContact O-N 3.5Å
187E40Very low42.3Very low155 Ų155122.8 Ų122.872%0.72467%0.668SS**  trans-78.144.5-174.4-73.3172.3153.500115S185S185-E187 WeakPolarHBondContact CB-OE2 3.44Å; S185-E187 PolarHBondContact O-N 3.37Å; S185-E187 WeakPolarHBondContact OG-CB 3.47Å; S185-E187 WeakPolarHBondContact OG-CG 3.18Å; S185-E187 PolarHBondContact OG-OE2 2.77Å
188N42Very low44Very low114 Ų114117.4 Ų117.461%0.6163%0.631SS**  trans-133.554.1168.3-14237.6000111.9I186 D190 C191I186-N188 PolarHBondContact O-N 3.5Å; N188-D190 PolarHBondContact O-N 3.42Å; N188-C191 WeakPolarHBondContact O-CB 3.3Å; N188-C191 PolarHBondContact O-N 3.1Å
189D48Very low45.6Very low106 Ų106111.3 Ų111.357%0.56762%0.615SS**G310 helixtrans-66-17172.4-91.3-36.9000112.7C191 L192D189-C191 PolarHBondContact O-N 3.36Å; D189-L192 WeakPolarHBondContact O-CB 3.49Å; D189-L192 PolarHBondContact O-N 3.05Å; D189-L192 WeakPolarHBondContact OD1-CD1 3.39Å
190D43.3Very low47.5Very low124 Ų124107.6 Ų107.666%0.66359%0.585SS**G310 helixtrans-65.1-23.3174-70.1-36.7000112.6N188 L192 L193N188-D190 PolarHBondContact O-N 3.42Å; D190-L192 PolarHBondContact O-N 3.24Å; D190-L193 PolarHBondContact O-N 2.95Å
191C47.4Very low49.8Very low87 Ų87101.3 Ų101.359%0.58857%0.568SS**G310 helixtrans-69.6-20.8173.4-168.60000112.3N188 D189 L193N188-C191 WeakPolarHBondContact O-CB 3.3Å; N188-C191 PolarHBondContact O-N 3.1Å; D189-C191 PolarHBondContact O-N 3.36Å; C191-L193 VanDerWaalsContact C-N 3.34Å
192L43.2Very low52.2Low82 Ų8296.2 Ų96.243%0.42953%0.532SS..G310 helixtrans-77.3-18.9178.1-60.5-177000113.5D189 D190D189-L192 WeakPolarHBondContact O-CB 3.49Å; D189-L192 PolarHBondContact O-N 3.05Å; D189-L192 WeakPolarHBondContact OD1-CD1 3.39Å; D190-L192 PolarHBondContact O-N 3.24Å
193L50.7Low55.1Low147 Ų14793.8 Ų93.877%0.7750%0.504SS*.THydrogen-bonded Turntrans-79.6-32.5-178.3-65.1172.8000112D190 C191 K195D190-L193 PolarHBondContact O-N 2.95Å; C191-L193 VanDerWaalsContact C-N 3.34Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.94Å
194S51.3Low57.7Low107 Ų10790.6 Ų90.675%0.74850%0.495SS*.SBendtrans-95.957.6174.7-164.40000110.7P196S194-P196 WeakPolarHBondContact O-CD 3.38Å
195K56.9Low60.3Low55 Ų5583.1 Ų83.124%0.23947%0.467CS..  trans-88.6115.4-178.3-151.5167.8-180-166.70108.5L193 Q197 S332L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.94Å; K195-Q197 PolarHBondContact O-N 3.27Å; K195-S332 VanDerWaalsContact CE-CB 3.48Å; K195-S332 WeakPolarHBondContact CE-O 3.3Å; K195-S332 VanDerWaalsContact CE-OG 3.23Å; K195-S332 WeakPolarHBondContact CE-OG 3.46Å; K195-S332 WeakPolarHBondContact CG-O 2.94Å; K195-S332 PolarHBondContact NZ-OG 2.75Å; K195-S332 VanDerWaalsContact NZ-OG 3.13Å
196P58.1Low62.9Low36 Ų3679.8 Ų79.823%0.23444%0.444CS..  trans-57.1129.1175.421.5-30.2000109.4S194 S332 L341S194-P196 WeakPolarHBondContact O-CD 3.38Å; P196-S332 WeakPolarHBondContact O-CA 3.44Å; P196-L341 HydrophobicContact CB-CD1 3.46Å; P196-L341 VanDerWaalsContact CB-CD1 3.46Å
197Q64.6Low65.4Low139 Ų13977 Ų7765%0.6543%0.426SS*.  trans-112.1123.8178.1-65-177.635.700108.4K195 L199K195-Q197 PolarHBondContact O-N 3.27Å; Q197-L199 HydrophobicContact CB-CD2 4.42Å; Q197-L199 PolarHBondContact O-N 3.16Å
198L68.3Low68Low4 Ų472 Ų722%0.02141%0.41CS..  trans-73.7104.9170-168.978.8000108.6V200 L327 V331 L341 L344 E345L198-V200 VanDerWaalsContact C-N 3.25Å; L198-V200 HydrophobicContact CB-CG2 4.47Å; L198-V200 HydrophobicContact CD2-CG2 3.34Å; L198-V200 HydrophobicContact CG-CG2 3.52Å; L198-V200 PolarHBondContact O-N 2.89Å; L198-L327 HydrophobicContact CD2-CD2 4.16Å; L198-L327 HydrophobicContact CD2-CG 4.13Å; L198-V331 HydrophobicContact CB-CB 4.12Å; L198-V331 HydrophobicContact CB-CG1 3.95Å; L198-V331 HydrophobicContact CB-CG2 4.45Å; L198-V331 HydrophobicContact CD2-CG2 4.26Å; L198-L341 HydrophobicContact CD1-CD2 4.28Å; L198-L344 HydrophobicContact CD1-CB 4.37Å; L198-L344 HydrophobicContact CD1-CD2 3.86Å; L198-L344 HydrophobicContact CD1-CG 3.94Å; L198-E345 HydrophobicContact CD1-CG 3.43Å; L198-E345 VanDerWaalsContact CD1-CG 3.43Å; L198-E345 HydrophobicContact CG-CG 4.08Å
199L68Low70.5Confident115 Ų11568.2 Ų68.260%0.60239%0.388SS*.  trans-81.970.5179.7-64.7-176.6000110.8Q197 E345Q197-L199 HydrophobicContact CB-CD2 4.42Å; Q197-L199 PolarHBondContact O-N 3.16Å; L199-E345 PolarHBondContact N-OE1 3.41Å
200V71.4Confident72.8Confident4 Ų464.4 Ų64.42%0.02437%0.367CS..  trans-83.6118.8172.4-174.80000110.3L198 I202 R328 V348 L352L198-V200 VanDerWaalsContact C-N 3.25Å; L198-V200 HydrophobicContact CB-CG2 4.47Å; L198-V200 HydrophobicContact CD2-CG2 3.34Å; L198-V200 HydrophobicContact CG-CG2 3.52Å; L198-V200 PolarHBondContact O-N 2.89Å; V200-I202 HydrophobicContact CG1-CG1 4.12Å; V200-I202 PolarHBondContact O-N 3.09Å; V200-R328 HydrophobicContact CB-CG 3.97Å; V200-R328 HydrophobicContact CG2-CG 4Å; V200-R328 VanDerWaalsContact O-CZ 3.32Å; V200-R328 PolarHBondContact O-NE 3.44Å; V200-V348 HydrophobicContact CB-CG1 4.24Å; V200-V348 HydrophobicContact CG1-CG1 3.45Å; V200-V348 VanDerWaalsContact CG1-CG1 3.45Å; V200-V348 HydrophobicContact CG2-CB 4.32Å; V200-V348 HydrophobicContact CG2-CG1 3.72Å; V200-L352 HydrophobicContact CG1-CD1 3.36Å
201S79.6Confident75.3Confident88 Ų8862.9 Ų62.962%0.61536%0.362SS*.  trans-90.791.6172.1-1710000110P203S201-P203 WeakPolarHBondContact O-CD 3.47Å
202I84.9Confident77.5Confident5 Ų562.2 Ų62.23%0.02635%0.353CS..  trans-67.3124.1175.7-55.9172.8000109.1V200 L206 K207 V325 L352V200-I202 HydrophobicContact CG1-CG1 4.12Å; V200-I202 PolarHBondContact O-N 3.09Å; I202-L206 HydrophobicContact CG2-CB 4.04Å; I202-K207 HydrophobicContact CB-CG 4.25Å; I202-K207 HydrophobicContact CG2-CG 3.91Å; I202-K207 WeakPolarHBondContact O-CE 3.45Å; I202-K207 PolarHBondContact O-NZ 2.87Å; I202-V325 HydrophobicContact CD1-CG2 3.68Å; I202-L352 HydrophobicContact CG1-CD1 4.11Å
203P90Very high80.1Confident15 Ų1558.3 Ų58.310%0.09733%0.332CS..  trans-53.7145.8177.7-28.334.6000113.4S201 S205 L206 K207S201-P203 WeakPolarHBondContact O-CD 3.47Å; P203-S205 VanDerWaalsContact C-N 3.3Å; P203-S205 PolarHBondContact O-N 3.32Å; P203-L206 HydrophobicContact CB-CG 4.46Å; P203-L206 HydrophobicContact CG-CD1 4.26Å; P203-L206 PolarHBondContact O-N 2.58Å; P203-K207 PolarHBondContact O-N 3.33Å; P203-K207 VanDerWaalsContact O-N 3.07Å
204P88.6Confident82.2Confident103 Ų10356.9 Ų56.967%0.66932%0.317SS*.Hα-helixtrans-58.2-35.3-179.6-25.834.8000114.7K207 A208P204-K207 WeakPolarHBondContact O-CB 3.34Å; P204-K207 PolarHBondContact O-N 3.19Å; P204-A208 PolarHBondContact O-N 3.12Å
205S90.6Very high84.4Confident36 Ų3653.2 Ų53.225%0.25229%0.289SS..Hα-helixtrans-64.5-46.7178.865.40000111.7P203 K207 A208 W209 E359P203-S205 VanDerWaalsContact C-N 3.3Å; P203-S205 PolarHBondContact O-N 3.32Å; S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 3.22Å; S205-A208 VanDerWaalsContact O-CB 3.32Å; S205-A208 WeakPolarHBondContact O-CB 3.46Å; S205-A208 PolarHBondContact O-N 3.42Å; S205-W209 PolarHBondContact O-N 3.36Å; S205-E359 WeakPolarHBondContact CB-OE2 3.43Å; S205-E359 PolarHBondContact OG-OE2 3.38Å
206L92.7Very high86.3Confident0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-64.2-32.1174.7-62-174.4000112.7I202 P203 A208 W209 L210 L321 L352 L355 E359 F363I202-L206 HydrophobicContact CG2-CB 4.04Å; P203-L206 HydrophobicContact CB-CG 4.46Å; P203-L206 HydrophobicContact CG-CD1 4.26Å; P203-L206 PolarHBondContact O-N 2.58Å; L206-A208 VanDerWaalsContact C-N 3.33Å; L206-W209 PolarHBondContact O-N 3.46Å; L206-L210 PolarHBondContact O-N 3.44Å; L206-L321 HydrophobicContact CB-CD1 4.23Å; L206-L321 HydrophobicContact CB-CD2 4.04Å; L206-L321 HydrophobicContact CD1-CD1 4.23Å; L206-L321 WeakPolarHBondContact O-CD2 3.43Å; L206-L352 HydrophobicContact CD1-CB 4.45Å; L206-L352 HydrophobicContact CD1-CD2 4.04Å; L206-L355 HydrophobicContact CD1-CB 3.98Å; L206-L355 HydrophobicContact CD2-CB 4.4Å; L206-E359 HydrophobicContact CD2-CG 4.36Å; L206-F363 HydrophobicContact CD2-CD2 4.32Å; L206-F363 HydrophobicContact CD2-CE2 3.69Å; L206-F363 HydrophobicContact CD2-CZ 4.09Å
207K93.3Very high88.1Confident96 Ų9649.4 Ų49.442%0.41727%0.269SS..Hα-helixtrans-65.1-37.3172-74.2173.8176.3143.20112.1I202 P203 P204 S205 W209 L210 V211I202-K207 HydrophobicContact CB-CG 4.25Å; I202-K207 HydrophobicContact CG2-CG 3.91Å; I202-K207 WeakPolarHBondContact O-CE 3.45Å; I202-K207 PolarHBondContact O-NZ 2.87Å; P203-K207 PolarHBondContact O-N 3.33Å; P203-K207 VanDerWaalsContact O-N 3.07Å; P204-K207 WeakPolarHBondContact O-CB 3.34Å; P204-K207 PolarHBondContact O-N 3.19Å; S205-K207 VanDerWaalsContact C-N 3.28Å; S205-K207 PolarHBondContact O-N 3.22Å; K207-W209 VanDerWaalsContact C-N 3.33Å; K207-L210 PolarHBondContact O-N 3.13Å; K207-V211 WeakPolarHBondContact O-CG2 3.28Å; K207-V211 PolarHBondContact O-N 3.27Å; K207-V211 VanDerWaalsContact O-N 3.13Å
208A94.5Very high89.4Confident48 Ų4846.2 Ų46.240%0.39726%0.259SS..Hα-helixtrans-60.4-45.7176.400000110.5P204 S205 L206 L210 V211 D212P204-A208 PolarHBondContact O-N 3.12Å; S205-A208 VanDerWaalsContact O-CB 3.32Å; S205-A208 WeakPolarHBondContact O-CB 3.46Å; S205-A208 PolarHBondContact O-N 3.42Å; L206-A208 VanDerWaalsContact C-N 3.33Å; A208-L210 VanDerWaalsContact C-N 3.29Å; A208-L210 PolarHBondContact O-N 3.17Å; A208-V211 WeakPolarHBondContact O-CB 3.31Å; A208-V211 PolarHBondContact O-N 3.04Å; A208-D212 PolarHBondContact O-N 2.85Å
209W95.8Very high90.6Very high36 Ų3654.4 Ų54.414%0.13629%0.29CS..Hα-helixtrans-56.9-37.8174.2-77.5106.5000114.3S205 L206 K207 V211 D212 D213 I318 E359 F363 L365S205-W209 PolarHBondContact O-N 3.36Å; L206-W209 PolarHBondContact O-N 3.46Å; K207-W209 VanDerWaalsContact C-N 3.33Å; W209-V211 VanDerWaalsContact C-N 3.34Å; W209-D212 PolarHBondContact O-N 3.06Å; W209-D213 WeakPolarHBondContact O-CB 3.35Å; W209-D213 PolarHBondContact O-N 3.21Å; W209-I318 HydrophobicContact CB-CD1 4.4Å; W209-E359 VanDerWaalsContact CD1-OE1 3.22Å; W209-E359 VanDerWaalsContact NE1-CG 3.26Å; W209-E359 PolarHBondContact NE1-OE1 3.48Å; W209-F363 HydrophobicContact CB-CD1 4.41Å; W209-F363 HydrophobicContact CD2-CB 3.57Å; W209-F363 HydrophobicContact CD2-CD1 4.48Å; W209-F363 HydrophobicContact CD2-CG 4.19Å; W209-F363 VanDerWaalsContact CE2-CB 3.48Å; W209-F363 HydrophobicContact CE3-CB 3.9Å; W209-F363 HydrophobicContact CG-CB 4.06Å; W209-F363 HydrophobicContact CG-CD1 4.29Å; W209-F363 HydrophobicContact CG-CG 4.16Å; W209-F363 HydrophobicContact CH2-CB 4.01Å; W209-F363 WeakPolarHBondContact CH2-O 3.07Å; W209-F363 HydrophobicContact CZ2-CB 3.72Å; W209-F363 WeakPolarHBondContact CZ2-O 3.34Å; W209-F363 HydrophobicContact CZ3-CB 4.09Å; W209-L365 HydrophobicContact CE3-CD2 4.49Å; W209-L365 HydrophobicContact CH2-CD2 4.34Å; W209-L365 HydrophobicContact CH2-CG 3.93Å; W209-L365 HydrophobicContact CZ3-CD2 3.64Å; W209-L365 HydrophobicContact CZ3-CG 3.74Å
210L95.8Very high91.8Very high26 Ų2653 Ų5314%0.13628%0.28CS..Hα-helixtrans-68.3-33.4175.4-74.7166.7000113L206 K207 A208 W214 I318 L321 R322 V325L206-L210 PolarHBondContact O-N 3.44Å; K207-L210 PolarHBondContact O-N 3.13Å; A208-L210 VanDerWaalsContact C-N 3.29Å; A208-L210 PolarHBondContact O-N 3.17Å; L210-W214 WeakPolarHBondContact O-CB 3.17Å; L210-W214 PolarHBondContact O-N 3.27Å; L210-W214 VanDerWaalsContact O-N 3.13Å; L210-I318 HydrophobicContact CD2-CD1 4.5Å; L210-L321 HydrophobicContact CD1-CD2 4.22Å; L210-L321 HydrophobicContact CD1-CG 4Å; L210-L321 HydrophobicContact CD2-CB 4.39Å; L210-L321 HydrophobicContact CD2-CD2 4.14Å; L210-L321 HydrophobicContact CD2-CG 3.93Å; L210-L321 HydrophobicContact CG-CD2 3.77Å; L210-L321 HydrophobicContact CG-CG 3.9Å; L210-R322 HydrophobicContact CD2-CG 3.88Å; L210-V325 HydrophobicContact CD1-CG2 3.42Å; L210-V325 VanDerWaalsContact CD1-CG2 3.42Å; L210-V325 HydrophobicContact CD2-CG2 4.44Å
211V94.9Very high92.9Very high92 Ų9253.8 Ų53.856%0.55829%0.287SS*.Hα-helixtrans-70.8-44.4175.8174.10000109.9K207 A208 W209 W214 D215K207-V211 WeakPolarHBondContact O-CG2 3.28Å; K207-V211 PolarHBondContact O-N 3.27Å; K207-V211 VanDerWaalsContact O-N 3.13Å; A208-V211 WeakPolarHBondContact O-CB 3.31Å; A208-V211 PolarHBondContact O-N 3.04Å; W209-V211 VanDerWaalsContact C-N 3.34Å; V211-W214 PolarHBondContact O-N 3.31Å; V211-D215 PolarHBondContact O-N 3.31Å
212D95.2Very high93.7Very high73 Ų7353.3 Ų53.339%0.3927%0.271SS..Hα-helixtrans-65-46.8178.3-65.5-21000111.2A208 W209 W214 D215 L216A208-D212 PolarHBondContact O-N 2.85Å; W209-D212 PolarHBondContact O-N 3.06Å; D212-W214 VanDerWaalsContact C-N 3.33Å; D212-W214 PolarHBondContact O-N 3.04Å; D212-D215 PolarHBondContact O-N 2.99Å; D212-D215 VanDerWaalsContact O-N 3.13Å; D212-L216 WeakPolarHBondContact O-CB 3.44Å; D212-L216 WeakPolarHBondContact O-CD1 3.35Å; D212-L216 WeakPolarHBondContact O-CG 3.47Å; D212-L216 PolarHBondContact O-N 3.2Å
213D96.9Very high94.3Very high0 Ų053.7 Ų53.70%027%0.274CS..Hα-helixtrans-55.2-46.2174170.864000112W209 D215 L216 I217 I318 R322 Y368W209-D213 WeakPolarHBondContact O-CB 3.35Å; W209-D213 PolarHBondContact O-N 3.21Å; D213-D215 PolarHBondContact O-N 2.69Å; D213-L216 PolarHBondContact O-N 3.4Å; D213-I217 WeakPolarHBondContact O-CG1 3.34Å; D213-I217 PolarHBondContact O-N 3.33Å; D213-I217 VanDerWaalsContact O-N 3.08Å; D213-I217 WeakPolarHBondContact OD1-CD1 3.43Å; D213-I318 HydrophobicContact CB-CD1 3.77Å; D213-I318 HydrophobicContact CB-CG1 3.77Å; D213-I318 VanDerWaalsContact CG-CG1 3.4Å; D213-R322 IonicContact OD1-CZ 3.54Å; D213-R322 IonicContact OD1-NE 3.47Å; D213-R322 IonicContact OD1-NH2 3.55Å; D213-R322 PolarHBondContact OD1-NH2 2.9Å; D213-R322 IonicContact OD2-CZ 4Å; D213-R322 IonicContact OD2-NE 3.64Å; D213-R322 PolarHBondContact OD2-NE 3.07Å; D213-R322 IonicContact OD2-NH2 3.36Å; D213-R322 PolarHBondContact OD2-NH2 3.16Å; D213-Y368 WeakPolarHBondContact CB-OH 3.37Å; D213-Y368 WeakPolarHBondContact OD1-CE1 3.47Å; D213-Y368 PolarHBondContact OD1-OH 2.94Å
214W95.8Very high94.6Very high116 Ų11653.2 Ų53.244%0.43927%0.27SS..Hα-helixtrans-61.7-42.7176176.377000112.1L210 V211 D212 T218 R219 Y292L210-W214 WeakPolarHBondContact O-CB 3.17Å; L210-W214 PolarHBondContact O-N 3.27Å; L210-W214 VanDerWaalsContact O-N 3.13Å; V211-W214 PolarHBondContact O-N 3.31Å; D212-W214 VanDerWaalsContact C-N 3.33Å; D212-W214 PolarHBondContact O-N 3.04Å; W214-T218 HydrophobicContact CZ2-CG2 4.29Å; W214-T218 PolarHBondContact NE1-OG1 3.29Å; W214-T218 WeakPolarHBondContact O-CB 3.37Å; W214-T218 PolarHBondContact O-N 3.12Å; W214-T218 PolarHBondContact O-OG1 3.06Å; W214-R219 HydrophobicContact CH2-CG 4.46Å; W214-Y292 AromaticContact CD1-CE1 3.69Å; W214-Y292 AromaticContact CD1-CZ 3.85Å
215D96.8Very high94.9Very high31 Ų3153.4 Ų53.417%0.16626%0.262CS..Hα-helixtrans-65.7-48178.2-170.577.9000111.7V211 D212 D213 I217 R219 Q220V211-D215 PolarHBondContact O-N 3.31Å; D212-D215 PolarHBondContact O-N 2.99Å; D212-D215 VanDerWaalsContact O-N 3.13Å; D213-D215 PolarHBondContact O-N 2.69Å; D215-I217 VanDerWaalsContact C-N 3.31Å; D215-I217 PolarHBondContact O-N 3.24Å; D215-R219 CarbonylContact O-C 3.54Å; D215-R219 WeakPolarHBondContact O-CA 3.35Å; D215-R219 VanDerWaalsContact O-CB 3.32Å; D215-R219 WeakPolarHBondContact O-CB 3.44Å; D215-R219 PolarHBondContact O-N 2.7Å; D215-R219 VanDerWaalsContact OD1-CD 3.22Å; D215-R219 WeakPolarHBondContact OD1-CD 3.35Å; D215-R219 IonicContact OD1-CZ 2.8Å; D215-R219 IonicContact OD1-NE 3.68Å; D215-R219 IonicContact OD1-NH1 3.44Å; D215-R219 PolarHBondContact OD1-NH1 2.98Å; D215-Q220 PolarHBondContact O-N 2.97Å; D215-Q220 PolarHBondContact OD2-NE2 3.26Å
216L97.2Very high95Very high10 Ų1053.1 Ų53.15%0.05226%0.257CS..Hα-helixtrans-56.2-45.8179.1-71.2163.9000111.3D212 D213 Q220 A221 R222 L365 Y368D212-L216 WeakPolarHBondContact O-CB 3.44Å; D212-L216 WeakPolarHBondContact O-CD1 3.35Å; D212-L216 WeakPolarHBondContact O-CG 3.47Å; D212-L216 PolarHBondContact O-N 3.2Å; D213-L216 PolarHBondContact O-N 3.4Å; L216-Q220 CarbonylContact O-C 3.39Å; L216-Q220 WeakPolarHBondContact O-CB 3.47Å; L216-Q220 PolarHBondContact O-N 3.03Å; L216-A221 PolarHBondContact O-N 3.03Å; L216-R222 HydrophobicContact CB-CB 4.46Å; L216-R222 WeakPolarHBondContact O-CB 3.47Å; L216-R222 PolarHBondContact O-N 2.76Å; L216-L365 HydrophobicContact CD1-CD2 3.76Å; L216-Y368 HydrophobicContact CB-CD1 4.08Å; L216-Y368 HydrophobicContact CB-CE1 4.35Å; L216-Y368 HydrophobicContact CD1-CD1 3.96Å; L216-Y368 HydrophobicContact CD1-CD2 3.86Å; L216-Y368 HydrophobicContact CD1-CE1 4.04Å; L216-Y368 HydrophobicContact CD1-CE2 3.94Å; L216-Y368 HydrophobicContact CD1-CG 3.85Å
217I96.2Very high95Very high1 Ų156.8 Ų56.81%0.00528%0.281CS..Hα-helixtrans-81.8-46.4-175.5-65165.4000112D213 D215 R222 Y292 F294 E295 Y368D213-I217 WeakPolarHBondContact O-CG1 3.34Å; D213-I217 PolarHBondContact O-N 3.33Å; D213-I217 VanDerWaalsContact O-N 3.08Å; D213-I217 WeakPolarHBondContact OD1-CD1 3.43Å; D215-I217 VanDerWaalsContact C-N 3.31Å; D215-I217 PolarHBondContact O-N 3.24Å; I217-R222 WeakPolarHBondContact CA-O 3.43Å; I217-Y292 HydrophobicContact CB-CD2 4.07Å; I217-Y292 HydrophobicContact CD1-CD2 3.9Å; I217-Y292 HydrophobicContact CD1-CE2 4.04Å; I217-Y292 HydrophobicContact CG2-CD2 3.79Å; I217-Y292 HydrophobicContact CG2-CG 4.39Å; I217-F294 HydrophobicContact CG2-CB 4.16Å; I217-F294 HydrophobicContact CG2-CD1 4.22Å; I217-E295 HydrophobicContact CD1-CG 4.43Å; I217-E295 WeakPolarHBondContact CD1-OE1 3.37Å; I217-E295 HydrophobicContact CG2-CG 3.86Å; I217-Y368 HydrophobicContact CD1-CE1 4.2Å; I217-Y368 HydrophobicContact CG1-CD1 4.49Å; I217-Y368 HydrophobicContact CG1-CE1 4.29Å
218T91.6Very high95Very high71 Ų7152.6 Ų52.644%0.43626%0.264SS..Hα-helixtrans-83.7-37.9-171.2-52.20000112W214W214-T218 HydrophobicContact CZ2-CG2 4.29Å; W214-T218 PolarHBondContact NE1-OG1 3.29Å; W214-T218 WeakPolarHBondContact O-CB 3.37Å; W214-T218 PolarHBondContact O-N 3.12Å; W214-T218 PolarHBondContact O-OG1 3.06Å
219R92.3Very high95Very high177 Ų17753.7 Ų53.767%0.66827%0.269SS*.THydrogen-bonded Turntrans-103.3-36.9-174.2-65.1-173.657.3-136.24.4113W214 D215W214-R219 HydrophobicContact CH2-CG 4.46Å; D215-R219 CarbonylContact O-C 3.54Å; D215-R219 WeakPolarHBondContact O-CA 3.35Å; D215-R219 VanDerWaalsContact O-CB 3.32Å; D215-R219 WeakPolarHBondContact O-CB 3.44Å; D215-R219 PolarHBondContact O-N 2.7Å; D215-R219 VanDerWaalsContact OD1-CD 3.22Å; D215-R219 WeakPolarHBondContact OD1-CD 3.35Å; D215-R219 IonicContact OD1-CZ 2.8Å; D215-R219 IonicContact OD1-NE 3.68Å; D215-R219 IonicContact OD1-NH1 3.44Å; D215-R219 PolarHBondContact OD1-NH1 2.98Å
220Q94.2Very high94.9Very high86 Ų8654.6 Ų54.640%0.40228%0.275SS..SBendtrans-96.21.8-177.6-50.5-175.123.800114.1D215 L216 R222D215-Q220 PolarHBondContact O-N 2.97Å; D215-Q220 PolarHBondContact OD2-NE2 3.26Å; L216-Q220 CarbonylContact O-C 3.39Å; L216-Q220 WeakPolarHBondContact O-CB 3.47Å; L216-Q220 PolarHBondContact O-N 3.03Å; Q220-R222 HydrophobicContact CB-CG 4.27Å; Q220-R222 PolarHBondContact O-N 3.38Å
221A94.3Very high94.9Very high19 Ų1954.6 Ų54.616%0.15728%0.277CS..  trans51.738-179.900000113.4L216 F294 A371 Q376L216-A221 PolarHBondContact O-N 3.03Å; A221-F294 HydrophobicContact CB-CE1 4.24Å; A221-F294 HydrophobicContact CB-CZ 3.94Å; A221-A371 WeakPolarHBondContact O-CB 3.48Å; A221-A371 PolarHBondContact O-N 3.25Å; A221-A371 VanDerWaalsContact O-N 3.15Å; A221-Q376 HydrophobicContact CB-CG 4.42Å
222R96.8Very high94.9Very high79 Ų7950.2 Ų50.230%0.29825%0.25SS..EExtended strand (participates in β ladder)trans-93.1158.5171.3-63-171.9176.9-178.50.4110.8L216 I217 Q220 T369 V370L216-R222 HydrophobicContact CB-CB 4.46Å; L216-R222 WeakPolarHBondContact O-CB 3.47Å; L216-R222 PolarHBondContact O-N 2.76Å; I217-R222 WeakPolarHBondContact CA-O 3.43Å; Q220-R222 HydrophobicContact CB-CG 4.27Å; Q220-R222 PolarHBondContact O-N 3.38Å; R222-T369 CarbonylContact C-O 3.51Å; R222-T369 WeakPolarHBondContact CA-O 3.38Å; R222-T369 WeakPolarHBondContact CB-O 3.5Å; R222-V370 HydrophobicContact CG-CG2 4.29Å
223L96.2Very high94.9Very high13 Ų1347.9 Ų47.97%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-123.6144.3173.1-67.1169.2000109.1F294 E295 Y368 T369 A371 Y375L223-F294 HydrophobicContact CD2-CD1 3.64Å; L223-F294 HydrophobicContact CD2-CE1 3.77Å; L223-F294 HydrophobicContact CG-CD1 4.31Å; L223-F294 HydrophobicContact CG-CE1 3.94Å; L223-E295 HydrophobicContact CD2-CG 4.21Å; L223-Y368 WeakPolarHBondContact O-CA 3.41Å; L223-T369 PolarHBondContact N-O 3.29Å; L223-T369 PolarHBondContact O-N 3.27Å; L223-A371 HydrophobicContact CD1-CB 3.95Å; L223-A371 HydrophobicContact CG-CB 4.13Å; L223-Y375 HydrophobicContact CD1-CD1 3.88Å; L223-Y375 HydrophobicContact CD1-CD2 4.14Å; L223-Y375 HydrophobicContact CD1-CE1 3.57Å; L223-Y375 HydrophobicContact CD1-CE2 3.82Å; L223-Y375 HydrophobicContact CD1-CG 4.17Å; L223-Y375 HydrophobicContact CD2-CE1 4.05Å; L223-Y375 HydrophobicContact CG-CE1 4.24Å
224Y96.2Very high94.9Very high5 Ų549.5 Ų49.52%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-68.3132.2168.2-164.9-90.1000109.2L226 A228 Q298 I318 H319 D367 Y368Y224-L226 HydrophobicContact CD1-CD2 3.95Å; Y224-L226 HydrophobicContact CE1-CD2 4.5Å; Y224-L226 PolarHBondContact O-N 2.89Å; Y224-A228 HydrophobicContact CE1-CB 3.87Å; Y224-Q298 PolarHBondContact O-NE2 2.75Å; Y224-I318 HydrophobicContact CD2-CG2 3.69Å; Y224-I318 HydrophobicContact CE2-CG2 3.72Å; Y224-I318 HydrophobicContact CG-CG2 4.21Å; Y224-H319 AromaticContact CD1-CE1 3.66Å; Y224-H319 AromaticContact CG-CE1 3.72Å; Y224-D367 HydrophobicContact CD2-CB 4.19Å; Y224-D367 HydrophobicContact CE2-CB 3.52Å; Y224-D367 PolarHBondContact OH-OD2 3.29Å; Y224-D367 VanDerWaalsContact OH-OD2 3.09Å; Y224-Y368 HydrophobicContact CD2-CD1 4.24Å; Y224-Y368 HydrophobicContact CD2-CD2 4.32Å; Y224-Y368 AromaticContact CD2-CE1 3.81Å; Y224-Y368 HydrophobicContact CD2-CE1 3.81Å; Y224-Y368 AromaticContact CD2-CE2 3.9Å; Y224-Y368 HydrophobicContact CD2-CE2 3.9Å; Y224-Y368 HydrophobicContact CD2-CG 4.49Å; Y224-Y368 AromaticContact CD2-CZ 3.63Å; Y224-Y368 HydrophobicContact CE2-CE2 4.14Å
225E95.2Very high94.9Very high106 Ų10644 Ų4450%0.49523%0.232SC..  trans-69127.2-178.8-170.2174.2-178.700110.4D367E225-D367 WeakPolarHBondContact CB-O 3.11Å; E225-D367 PolarHBondContact N-O 3Å
226L93.8Very high94.8Very high31 Ų3142.9 Ų42.916%0.16223%0.226CC..SBendtrans-126.3136.7179.4-61.2177.9000109.7Y224 Q298 L302 I314 Y315Y224-L226 HydrophobicContact CD1-CD2 3.95Å; Y224-L226 HydrophobicContact CE1-CD2 4.5Å; Y224-L226 PolarHBondContact O-N 2.89Å; L226-Q298 HydrophobicContact CD1-CG 4.29Å; L226-L302 HydrophobicContact CD1-CD2 4.39Å; L226-I314 HydrophobicContact CB-CG2 4.2Å; L226-I314 HydrophobicContact CD2-CG2 4.37Å; L226-Y315 HydrophobicContact CD1-CD1 4.01Å; L226-Y315 HydrophobicContact CD1-CE1 3.47Å; L226-Y315 VanDerWaalsContact CD1-CE1 3.47Å; L226-Y315 HydrophobicContact CD2-CD1 3.75Å; L226-Y315 HydrophobicContact CD2-CE1 4.08Å; L226-Y315 HydrophobicContact CD2-CG 4.34Å; L226-Y315 HydrophobicContact CG-CE1 4.42Å
227P92Very high94.6Very high76 Ų7645.8 Ų45.849%0.49425%0.247SC..SBendcis-69142.51.5-18.132.6000113.6I314P227-I314 HydrophobicContact CB-CG2 4.4Å
228A94.2Very high94.5Very high9 Ų947.5 Ų47.57%0.07426%0.256CS..  trans-63141.3-17900000111.3Y224 Q230 I314Y224-A228 HydrophobicContact CE1-CB 3.87Å; A228-Q230 PolarHBondContact O-N 3.47Å; A228-I314 WeakPolarHBondContact CB-O 3.44Å; A228-I314 PolarHBondContact N-O 2.82Å
229S92.7Very high94.6Very high71 Ų7144.3 Ų44.350%0.49724%0.236SC..SBendtrans-60.2-31.5175.8-71.60000113R364S229-R364 PolarHBondContact OG-NH2 3.31Å; S229-R364 VanDerWaalsContact OG-NH2 3.08Å
230Q93.7Very high94.4Very high54 Ų5437.9 Ų37.925%0.25222%0.215SC..SBendtrans-127.186.2176.5-61.7-67.8-69.800107.2A228 Y362A228-Q230 PolarHBondContact O-N 3.47Å; Q230-Y362 HydrophobicContact CB-CD1 4.1Å; Q230-Y362 HydrophobicContact CB-CE1 4.38Å; Q230-Y362 HydrophobicContact CG-CD1 4.42Å
231P95.7Very high94.3Very high27 Ų2739.4 Ų39.418%0.17522%0.222CC..BIsolated β-bridgetrans-66.4156.8-178.328.1-34.3000110.7S233 A234 L235 D313 Y315P231-S233 PolarHBondContact O-N 2.64Å; P231-A234 HydrophobicContact CG-CB 3.97Å; P231-A234 PolarHBondContact O-N 3.47Å; P231-A234 VanDerWaalsContact O-N 3.08Å; P231-L235 PolarHBondContact O-N 3.28Å; P231-D313 WeakPolarHBondContact CB-O 3.34Å; P231-Y315 CarbonylContact C-O 3.49Å; P231-Y315 WeakPolarHBondContact CA-O 3.46Å
232I96.6Very high93.9Very high0 Ų039.9 Ų39.90%022%0.224CC..Hα-helixtrans-55.2-39.3180-70.8163.4000111.2A234 L235 L236 F282 S312 Y315 G316 L320I232-A234 PolarHBondContact O-N 2.84Å; I232-L235 PolarHBondContact O-N 3.32Å; I232-L236 HydrophobicContact CG2-CD1 3.78Å; I232-L236 HydrophobicContact CG2-CG 4.02Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; I232-L236 PolarHBondContact O-N 3Å; I232-F282 HydrophobicContact CD1-CD1 3.82Å; I232-F282 HydrophobicContact CD1-CD2 3.82Å; I232-F282 HydrophobicContact CD1-CE1 3.45Å; I232-F282 VanDerWaalsContact CD1-CE1 3.45Å; I232-F282 HydrophobicContact CD1-CE2 3.44Å; I232-F282 VanDerWaalsContact CD1-CE2 3.44Å; I232-F282 HydrophobicContact CD1-CG 4Å; I232-F282 HydrophobicContact CD1-CZ 3.25Å; I232-S312 WeakPolarHBondContact CB-O 3.48Å; I232-S312 PolarHBondContact N-O 3.21Å; I232-S312 VanDerWaalsContact N-O 3.14Å; I232-Y315 WeakPolarHBondContact CG1-O 3.45Å; I232-Y315 PolarHBondContact N-O 3.49Å; I232-G316 WeakPolarHBondContact CG1-O 3.32Å; I232-L320 HydrophobicContact CD1-CB 3.95Å; I232-L320 HydrophobicContact CD1-CD1 4.41Å; I232-L320 HydrophobicContact CG1-CB 3.96Å; I232-L320 HydrophobicContact CG2-CD1 4.05Å; I232-L320 HydrophobicContact CG2-CD2 4.18Å
233S95.2Very high93.2Very high24 Ų2436.3 Ų36.317%0.16821%0.212CC..Hα-helixtrans-59.2-43.5177.550.20000113.6P231 L236 S237 S312 D313P231-S233 PolarHBondContact O-N 2.64Å; S233-L236 PolarHBondContact O-N 3.04Å; S233-S237 PolarHBondContact O-N 3.05Å; S233-S237 PolarHBondContact O-OG 2.77Å; S233-S312 PolarHBondContact N-O 3.25Å; S233-D313 WeakPolarHBondContact CB-OD1 3.12Å; S233-D313 PolarHBondContact OG-OD1 2.84Å
234A95.4Very high92.4Very high33 Ų3339.7 Ų39.727%0.27323%0.227SC..Hα-helixtrans-66.1-45175.200000111.3P231 I232 L236 S237 D238P231-A234 HydrophobicContact CG-CB 3.97Å; P231-A234 PolarHBondContact O-N 3.47Å; P231-A234 VanDerWaalsContact O-N 3.08Å; I232-A234 PolarHBondContact O-N 2.84Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.74Å; A234-S237 WeakPolarHBondContact O-CB 3.44Å; A234-S237 PolarHBondContact O-N 2.91Å; A234-S237 VanDerWaalsContact O-N 3.11Å; A234-D238 PolarHBondContact O-N 2.99Å
235L95.7Very high91.3Very high0 Ų044 Ų440%025%0.249CC..Hα-helixtrans-57-40.9176.7166.265.3000112.8P231 I232 F239 L320 F351 F354 L355 Y362P231-L235 PolarHBondContact O-N 3.28Å; I232-L235 PolarHBondContact O-N 3.32Å; L235-F239 PolarHBondContact O-N 2.86Å; L235-F239 VanDerWaalsContact O-N 3.13Å; L235-L320 HydrophobicContact CD2-CD2 3.61Å; L235-L320 HydrophobicContact CG-CD2 4.49Å; L235-F351 HydrophobicContact CD2-CZ 4.35Å; L235-F351 HydrophobicContact CG-CZ 4.26Å; L235-F354 HydrophobicContact CD1-CE1 3.86Å; L235-L355 HydrophobicContact CD1-CD2 3.77Å; L235-L355 HydrophobicContact CD2-CD2 4.1Å; L235-Y362 HydrophobicContact CB-CE1 4.1Å; L235-Y362 HydrophobicContact CD1-CD1 3.75Å; L235-Y362 HydrophobicContact CD1-CD2 3.82Å; L235-Y362 HydrophobicContact CD1-CE1 3.43Å; L235-Y362 VanDerWaalsContact CD1-CE1 3.43Å; L235-Y362 HydrophobicContact CD1-CE2 3.49Å; L235-Y362 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y362 HydrophobicContact CD1-CG 3.95Å; L235-Y362 HydrophobicContact CG-CE1 4.32Å
236L95Very high89.8Confident8 Ų842.7 Ų42.74%0.04224%0.243CC..Hα-helixtrans-68-38.1177.8-65.6172.6000111.5I232 S233 A234 L240 L275 Q279 L320 F351I232-L236 HydrophobicContact CG2-CD1 3.78Å; I232-L236 HydrophobicContact CG2-CG 4.02Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; I232-L236 PolarHBondContact O-N 3Å; S233-L236 PolarHBondContact O-N 3.04Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 2.74Å; L236-L240 PolarHBondContact O-N 3.37Å; L236-L275 HydrophobicContact CD2-CB 4.28Å; L236-L275 HydrophobicContact CD2-CD2 3.58Å; L236-L275 HydrophobicContact CD2-CG 4.43Å; L236-Q279 HydrophobicContact CD1-CB 3.72Å; L236-Q279 HydrophobicContact CD1-CG 4.09Å; L236-L320 HydrophobicContact CD2-CD2 4.35Å; L236-F351 HydrophobicContact CD2-CE2 4.1Å; L236-F351 HydrophobicContact CD2-CZ 4.15Å
237S93.7Very high88.2Confident72 Ų7245.4 Ų45.450%0.50326%0.261SS..Hα-helixtrans-65.9-44.4173.9-69.90000112.1S233 A234 F239 L240 E241S233-S237 PolarHBondContact O-N 3.05Å; S233-S237 PolarHBondContact O-OG 2.77Å; A234-S237 WeakPolarHBondContact O-CB 3.44Å; A234-S237 PolarHBondContact O-N 2.91Å; A234-S237 VanDerWaalsContact O-N 3.11Å; S237-F239 VanDerWaalsContact C-N 3.26Å; S237-F239 PolarHBondContact O-N 3Å; S237-L240 WeakPolarHBondContact O-CB 3.3Å; S237-L240 PolarHBondContact O-N 2.83Å; S237-L240 VanDerWaalsContact O-N 3.09Å; S237-E241 PolarHBondContact O-N 3.49Å
238D94Very high86.5Confident36 Ų3649.1 Ų49.119%0.19327%0.27CS..Hα-helixtrans-59.6-37.7178-71.3-2.4000111.4A234 E241 S242 F354 R361 Y362A234-D238 PolarHBondContact O-N 2.99Å; D238-E241 PolarHBondContact O-N 3.13Å; D238-S242 PolarHBondContact O-N 2.98Å; D238-S242 PolarHBondContact O-OG 2.98Å; D238-F354 HydrophobicContact CB-CZ 4.31Å; D238-R361 IonicContact OD2-CZ 3.34Å; D238-R361 IonicContact OD2-NE 2.84Å; D238-R361 IonicContact OD2-NH2 2.92Å; D238-R361 PolarHBondContact OD2-NH2 2.91Å; D238-Y362 VanDerWaalsContact CB-OH 3.25Å; D238-Y362 WeakPolarHBondContact CB-OH 3.45Å; D238-Y362 PolarHBondContact OD2-OH 3.38Å
239F92.8Very high84.7Confident4 Ų453 Ų532%0.01830%0.296CS..Hα-helixtrans-67.1-39.4174.9174.3-110.5000113.1L235 S237 E241 S242 A243 L275 E350 F351 F354L235-F239 PolarHBondContact O-N 2.86Å; L235-F239 VanDerWaalsContact O-N 3.13Å; S237-F239 VanDerWaalsContact C-N 3.26Å; S237-F239 PolarHBondContact O-N 3Å; F239-E241 VanDerWaalsContact C-N 3.33Å; F239-S242 WeakPolarHBondContact CA-OG 3.28Å; F239-S242 PolarHBondContact O-N 3.42Å; F239-S242 PolarHBondContact O-OG 3.27Å; F239-A243 WeakPolarHBondContact O-CB 3.39Å; F239-A243 PolarHBondContact O-N 3.4Å; F239-L275 HydrophobicContact CD1-CD1 3.63Å; F239-L275 HydrophobicContact CD1-CD2 3.66Å; F239-L275 HydrophobicContact CD1-CG 4.17Å; F239-L275 HydrophobicContact CE1-CD1 4.17Å; F239-L275 HydrophobicContact CE1-CD2 4Å; F239-L275 HydrophobicContact CE1-CG 4.43Å; F239-E350 HydrophobicContact CE2-CG 4.29Å; F239-E350 HydrophobicContact CZ-CG 4.05Å; F239-F351 HydrophobicContact CB-CD2 4.23Å; F239-F351 HydrophobicContact CB-CE2 3.92Å; F239-F351 AromaticContact CD1-CD2 3.6Å; F239-F351 HydrophobicContact CD1-CD2 3.6Å; F239-F351 HydrophobicContact CD1-CE2 4.02Å; F239-F351 AromaticContact CD2-CD2 3.94Å; F239-F351 HydrophobicContact CD2-CD2 3.94Å; F239-F351 HydrophobicContact CD2-CE2 4.44Å; F239-F351 AromaticContact CE1-CD2 3.86Å; F239-F351 HydrophobicContact CE1-CD2 3.86Å; F239-F351 HydrophobicContact CE2-CD2 4.17Å; F239-F351 AromaticContact CG-CD2 3.63Å; F239-F351 HydrophobicContact CG-CD2 3.63Å; F239-F351 AromaticContact CG-CE2 3.86Å; F239-F351 HydrophobicContact CG-CE2 3.86Å; F239-F351 HydrophobicContact CZ-CB 4.31Å; F239-F351 HydrophobicContact CZ-CD2 4.13Å; F239-F354 HydrophobicContact CB-CD1 3.97Å; F239-F354 HydrophobicContact CB-CE1 3.78Å; F239-F354 HydrophobicContact CB-CG 4.47Å; F239-F354 HydrophobicContact CB-CZ 4.11Å; F239-F354 HydrophobicContact CD2-CB 3.6Å; F239-F354 AromaticContact CD2-CD1 3.7Å; F239-F354 HydrophobicContact CD2-CD1 3.7Å; F239-F354 AromaticContact CD2-CD2 3.91Å; F239-F354 HydrophobicContact CD2-CD2 3.91Å; F239-F354 HydrophobicContact CD2-CE1 4.31Å; F239-F354 HydrophobicContact CD2-CE2 4.49Å; F239-F354 AromaticContact CD2-CG 3.47Å; F239-F354 HydrophobicContact CD2-CG 3.47Å; F239-F354 VanDerWaalsContact CD2-CG 3.47Å; F239-F354 HydrophobicContact CE2-CB 3.81Å; F239-F354 HydrophobicContact CE2-CG 4.2Å; F239-F354 HydrophobicContact CG-CD1 4.23Å; F239-F354 HydrophobicContact CG-CG 4.4Å
240L89.6Confident82.4Confident43 Ų4355.6 Ų55.623%0.22530%0.3CS..Hα-helixtrans-62.9-42.9174.5-74.8175.2000111.2L236 S237 A243 E244 R271 R272 L275L236-L240 PolarHBondContact O-N 3.37Å; S237-L240 WeakPolarHBondContact O-CB 3.3Å; S237-L240 PolarHBondContact O-N 2.83Å; S237-L240 VanDerWaalsContact O-N 3.09Å; L240-A243 PolarHBondContact O-N 3.09Å; L240-E244 WeakPolarHBondContact O-CG 3.35Å; L240-E244 PolarHBondContact O-N 3.28Å; L240-R271 HydrophobicContact CD2-CB 4.32Å; L240-R272 HydrophobicContact CD1-CG 4.16Å; L240-R272 HydrophobicContact CD2-CG 3.85Å; L240-L275 HydrophobicContact CD1-CD1 3.93Å; L240-L275 HydrophobicContact CD2-CD1 3.34Å; L240-L275 HydrophobicContact CG-CD1 3.32Å
241E90.6Very high79.9Confident118 Ų11858 Ų5855%0.55132%0.321SS*.Hα-helixtrans-64.3-44.4178.5-173.7172.2-174.400111.6S237 D238 F239 A243 E244 I245S237-E241 PolarHBondContact O-N 3.49Å; D238-E241 PolarHBondContact O-N 3.13Å; F239-E241 VanDerWaalsContact C-N 3.33Å; E241-A243 VanDerWaalsContact C-N 3.31Å; E241-A243 PolarHBondContact O-N 3Å; E241-E244 PolarHBondContact O-N 2.89Å; E241-I245 HydrophobicContact CG-CD1 4.03Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.48Å
242S87.7Confident77.3Confident28 Ų2863.1 Ų63.120%0.19635%0.352CS..Hα-helixtrans-61.4-40.2176.162.90000112.3D238 F239 E244 I245 E246 F354D238-S242 PolarHBondContact O-N 2.98Å; D238-S242 PolarHBondContact O-OG 2.98Å; F239-S242 WeakPolarHBondContact CA-OG 3.28Å; F239-S242 PolarHBondContact O-N 3.42Å; F239-S242 PolarHBondContact O-OG 3.27Å; S242-E244 VanDerWaalsContact C-N 3.3Å; S242-E244 PolarHBondContact O-N 3.33Å; S242-I245 PolarHBondContact O-N 3.11Å; S242-E246 WeakPolarHBondContact O-CG 3.45Å; S242-E246 PolarHBondContact O-N 3.15Å; S242-E246 VanDerWaalsContact O-N 3.15Å; S242-F354 WeakPolarHBondContact OG-CD2 3.5Å; S242-F354 WeakPolarHBondContact OG-CE2 3.24Å
243A81.9Confident74.9Confident5 Ų568.5 Ų68.54%0.04139%0.389CS..Hα-helixtrans-67.5-29.7178.500000112.6F239 L240 E241 V247F239-A243 WeakPolarHBondContact O-CB 3.39Å; F239-A243 PolarHBondContact O-N 3.4Å; L240-A243 PolarHBondContact O-N 3.09Å; E241-A243 VanDerWaalsContact C-N 3.31Å; E241-A243 PolarHBondContact O-N 3Å; A243-V247 WeakPolarHBondContact O-CG2 3.47Å
244E78.5Confident72.3Confident84 Ų8475.5 Ų75.539%0.39342%0.419SS..Hα-helixtrans-77.4-35.8175.6-73.3-177-174.100112.9L240 E241 S242 V247 K248 R272L240-E244 WeakPolarHBondContact O-CG 3.35Å; L240-E244 PolarHBondContact O-N 3.28Å; E241-E244 PolarHBondContact O-N 2.89Å; S242-E244 VanDerWaalsContact C-N 3.3Å; S242-E244 PolarHBondContact O-N 3.33Å; E244-V247 PolarHBondContact O-N 2.98Å; E244-K248 PolarHBondContact O-N 2.84Å; E244-R272 IonicContact OE1-NH1 3.87Å
245I73.6Confident69.6Low94 Ų9480.4 Ų80.448%0.48245%0.448SS..Hα-helixtrans-64.4-43.2176.4-68.1165.8000110.3E241 S242 V247 K248 S249E241-I245 HydrophobicContact CG-CD1 4.03Å; E241-I245 WeakPolarHBondContact O-CG1 3.36Å; E241-I245 PolarHBondContact O-N 3.48Å; S242-I245 PolarHBondContact O-N 3.11Å; I245-V247 VanDerWaalsContact C-N 3.25Å; I245-V247 PolarHBondContact O-N 3.48Å; I245-K248 PolarHBondContact O-N 3.48Å; I245-S249 PolarHBondContact O-N 3.15Å; I245-S249 PolarHBondContact O-OG 2.98Å
246E64.5Low67Low79 Ų7988.4 Ų88.437%0.36949%0.486SS..Hα-helixtrans-59-35.7177.1-76.6-177.2-178.300112.4S242 I262S242-E246 WeakPolarHBondContact O-CG 3.45Å; S242-E246 PolarHBondContact O-N 3.15Å; S242-E246 VanDerWaalsContact O-N 3.15Å; E246-I262 HydrophobicContact CB-CD1 3.82Å
247V59.6Low64.2Low89 Ų8996 Ų9654%0.53953%0.527SS..Hα-helixtrans-72.6-36.2178.1174.60000112.8A243 E244 I245 S249A243-V247 WeakPolarHBondContact O-CG2 3.47Å; E244-V247 PolarHBondContact O-N 2.98Å; I245-V247 VanDerWaalsContact C-N 3.25Å; I245-V247 PolarHBondContact O-N 3.48Å; V247-S249 VanDerWaalsContact C-N 3.32Å
248K55.9Low61.8Low154 Ų15498.6 Ų98.667%0.6754%0.539SS*.Hα-helixtrans-76.8-19.1-178.2-69.3172.8-173.6164.60113.4E244 I245 E250E244-K248 PolarHBondContact O-N 2.84Å; I245-K248 PolarHBondContact O-N 3.48Å; K248-E250 VanDerWaalsContact C-N 3.25Å; K248-E250 PolarHBondContact O-N 2.8Å
249S56Low59.3Low91 Ų91105.5 Ų105.564%0.63657%0.57SS**THydrogen-bonded Turntrans-76.4-9.2-175-55.20000113.7I245 V247I245-S249 PolarHBondContact O-N 3.15Å; I245-S249 PolarHBondContact O-OG 2.98Å; V247-S249 VanDerWaalsContact C-N 3.32Å
250E45.3Very low57Low125 Ų125110.9 Ų110.958%0.58460%0.595SS**  trans-98.594.8169.3-66.4-161-160.400110K248 H260K248-E250 VanDerWaalsContact C-N 3.25Å; K248-E250 PolarHBondContact O-N 2.8Å; E250-H260 IonicContact OE1-CD2 3.09Å; E250-H260 IonicContact OE1-CE1 3.5Å; E250-H260 PolarHBondContact OE1-CE1 3.14Å; E250-H260 IonicContact OE1-ND1 3.47Å; E250-H260 IonicContact OE1-NE2 2.7Å; E250-H260 PolarHBondContact OE1-NE2 3Å
251P40.7Very low55Low104 Ų104114.7 Ų114.768%0.67562%0.615SS**SBend-156.193.2110.234.9-13.7000112.1
252T41.4Very low53.1Low135 Ų135110.6 Ų110.683%0.82860%0.597SS**SBendtrans169138.4149.527.70000109.2
253S45Very low51.4Low112 Ų112114 Ų11478%0.78361%0.613SS**SBendtrans9196163.4-33.50000116
254E40.9Very low50.1Low171 Ų171120 Ų12080%0.79965%0.651SS**  trans36.5134.2147.3-60-167.9167.100121.6Q256E254-Q256 PolarHBondContact O-N 3.2Å
255P38.6Very low49.3Very low136 Ų136120 Ų12088%0.88367%0.666SS**  trans-73.783-173.632.5-36.2000112N257P255-N257 PolarHBondContact O-N 2.68Å
256Q42.9Very low49.3Very low169 Ų169116.4 Ų116.479%0.7965%0.648SS**  trans-9285162-67.8-166.7-14.500109.4E254 V258E254-Q256 PolarHBondContact O-N 3.2Å; Q256-V258 PolarHBondContact O-N 2.88Å
257N34.9Very low50.1Low168 Ų168120.2 Ų120.290%0.89866%0.659SS**  trans30.135.7140.8-133.7-1.3000120.6P255P255-N257 PolarHBondContact O-N 2.68Å
258V43.7Very low51.2Low126 Ų126119.3 Ų119.376%0.76465%0.654SS**  trans-102.4117.5165.1-171.10000106.9Q256 H260Q256-V258 PolarHBondContact O-N 2.88Å; V258-H260 PolarHBondContact O-N 2.99Å
259Q41.2Very low52.7Low180 Ų180114.2 Ų114.284%0.84163%0.634SS**  trans-50.491-178.3-155112.9-5.700111.3N261Q259-N261 PolarHBondContact O-N 3.28Å; Q259-N261 VanDerWaalsContact O-N 3.12Å
260H44.3Very low54.2Low118 Ų118112.3 Ų112.355%0.54662%0.617SS.*  trans-67109.8178-124.8-84.2000108.2E250 V258 I262E250-H260 IonicContact OE1-CD2 3.09Å; E250-H260 IonicContact OE1-CE1 3.5Å; E250-H260 PolarHBondContact OE1-CE1 3.14Å; E250-H260 IonicContact OE1-ND1 3.47Å; E250-H260 IonicContact OE1-NE2 2.7Å; E250-H260 PolarHBondContact OE1-NE2 3Å; V258-H260 PolarHBondContact O-N 2.99Å; H260-I262 WeakPolarHBondContact ND1-CD1 3.5Å; H260-I262 PolarHBondContact O-N 3.05Å
261N48.7Very low56.3Low122 Ų122107 Ų10765%0.65259%0.591SS**  trans-94.425.9-175.6-150.230.4000112Q259Q259-N261 PolarHBondContact O-N 3.28Å; Q259-N261 VanDerWaalsContact O-N 3.12Å
262I50.9Low58.7Low33 Ų33107.5 Ų107.517%0.16958%0.58CS.*  trans-93.6118.5173.5-54.2175.6000105.6E246 H260 P264E246-I262 HydrophobicContact CB-CD1 3.82Å; H260-I262 WeakPolarHBondContact ND1-CD1 3.5Å; H260-I262 PolarHBondContact O-N 3.05Å; I262-P264 WeakPolarHBondContact O-CD 3.37Å
263N52.1Low61.1Low98 Ų98107.2 Ų107.252%0.52457%0.569SS.*  trans-76.4106.1163.2-82.7-37.4000106.9A265 I266N263-A265 PolarHBondContact O-N 2.81Å; N263-I266 HydrophobicContact CB-CD1 4.31Å; N263-I266 HydrophobicContact CB-CG1 4.25Å; N263-I266 PolarHBondContact O-N 3.23Å; N263-I266 VanDerWaalsContact O-N 3.1Å
264P54.2Low63.3Low131 Ų131102.7 Ų102.785%0.85154%0.535SS*.THydrogen-bonded Turntrans-59.9-6.5177.624.5-34.7000113.3I262I262-P264 WeakPolarHBondContact O-CD 3.37Å
265A61.4Low65.9Low85 Ų8594.9 Ų94.970%0.70250%0.499SS*.THydrogen-bonded Turntrans-74.7-21.7175.600000114.6N263 R267N263-A265 PolarHBondContact O-N 2.81Å; A265-R267 PolarHBondContact O-N 2.72Å
266I74.2Confident68.5Low19 Ų1991.1 Ų91.110%0.09748%0.48CS..  trans-91.5107.6-174-55.6179.1000110N263 R271 A346 L347N263-I266 HydrophobicContact CB-CD1 4.31Å; N263-I266 HydrophobicContact CB-CG1 4.25Å; N263-I266 PolarHBondContact O-N 3.23Å; N263-I266 VanDerWaalsContact O-N 3.1Å; I266-R271 HydrophobicContact CG2-CG 3.93Å; I266-A346 HydrophobicContact CD1-CB 3.89Å; I266-L347 HydrophobicContact CD1-CD2 4.32Å; I266-L347 HydrophobicContact CD1-CG 4.37Å; I266-L347 HydrophobicContact CG2-CD2 3.52Å; I266-L347 HydrophobicContact CG2-CG 4.24Å
267R80.9Confident70.9Confident159 Ų15985 Ų8560%0.646%0.461SS*.  trans-69.7148177.8-61167.551.1137.4-4.2111.2A265 D269 L270 R271A265-R267 PolarHBondContact O-N 2.72Å; R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 WeakPolarHBondContact CB-OD1 3.43Å; R267-D269 IonicContact CZ-OD2 3.34Å; R267-D269 IonicContact NE-OD1 3.19Å; R267-D269 PolarHBondContact NE-OD1 3.11Å; R267-D269 IonicContact NE-OD2 3.14Å; R267-D269 PolarHBondContact NE-OD2 3.32Å; R267-D269 VanDerWaalsContact NE-OD2 3.14Å; R267-D269 IonicContact NH2-OD2 2.77Å; R267-D269 PolarHBondContact NH2-OD2 3.42Å; R267-D269 PolarHBondContact O-N 3.03Å; R267-L270 HydrophobicContact CB-CD1 4.39Å; R267-L270 HydrophobicContact CB-CG 4.38Å; R267-L270 WeakPolarHBondContact O-CB 3.15Å; R267-L270 PolarHBondContact O-N 3.08Å; R267-L270 VanDerWaalsContact O-N 3.14Å; R267-R271 PolarHBondContact O-N 2.9Å
268P82.1Confident73.7Confident69 Ų6977.4 Ų77.445%0.44842%0.421SS..Hα-helixtrans-67.5-24.2-176.926.8-35.7000114.1R271 R272P268-R271 PolarHBondContact O-N 3Å; P268-R272 PolarHBondContact O-N 3.27Å
269D86.5Confident76.2Confident47 Ų4773 Ų7325%0.25139%0.392SS..Hα-helixtrans-62.9-44.217052.2-16000111.6R267 R271 R272 E273R267-D269 VanDerWaalsContact C-N 3.29Å; R267-D269 WeakPolarHBondContact CB-OD1 3.43Å; R267-D269 IonicContact CZ-OD2 3.34Å; R267-D269 IonicContact NE-OD1 3.19Å; R267-D269 PolarHBondContact NE-OD1 3.11Å; R267-D269 IonicContact NE-OD2 3.14Å; R267-D269 PolarHBondContact NE-OD2 3.32Å; R267-D269 VanDerWaalsContact NE-OD2 3.14Å; R267-D269 IonicContact NH2-OD2 2.77Å; R267-D269 PolarHBondContact NH2-OD2 3.42Å; R267-D269 PolarHBondContact O-N 3.03Å; D269-R271 VanDerWaalsContact C-N 3.31Å; D269-R271 PolarHBondContact O-N 2.86Å; D269-R272 PolarHBondContact O-N 3.18Å; D269-R272 VanDerWaalsContact O-N 3.16Å; D269-E273 WeakPolarHBondContact O-CG 3.43Å; D269-E273 PolarHBondContact O-N 3.13Å
270L87.9Confident78.7Confident51 Ų5170.9 Ų70.927%0.26738%0.382SS..Hα-helixtrans-61.8-38.1176.5-63.5176.5000112.3R267 E273 F274 I343R267-L270 HydrophobicContact CB-CD1 4.39Å; R267-L270 HydrophobicContact CB-CG 4.38Å; R267-L270 WeakPolarHBondContact O-CB 3.15Å; R267-L270 PolarHBondContact O-N 3.08Å; R267-L270 VanDerWaalsContact O-N 3.14Å; L270-E273 PolarHBondContact O-N 3.06Å; L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.34Å; L270-F274 PolarHBondContact O-N 3.2Å; L270-I343 HydrophobicContact CD1-CG2 4.29Å
271R89.3Confident81Confident13 Ų1367.7 Ų67.75%0.04937%0.365CS..Hα-helixtrans-61.6-46.2174.3-66-171-176.3112.5-5.3111.4L240 I266 R267 P268 D269 F274 L275 L347 E350L240-R271 HydrophobicContact CD2-CB 4.32Å; I266-R271 HydrophobicContact CG2-CG 3.93Å; R267-R271 PolarHBondContact O-N 2.9Å; P268-R271 PolarHBondContact O-N 3Å; D269-R271 VanDerWaalsContact C-N 3.31Å; D269-R271 PolarHBondContact O-N 2.86Å; R271-F274 PolarHBondContact O-N 3.22Å; R271-L275 VanDerWaalsContact O-CG 3.3Å; R271-L275 WeakPolarHBondContact O-CG 3.29Å; R271-L275 PolarHBondContact O-N 3.11Å; R271-L347 HydrophobicContact CB-CD2 4.49Å; R271-L347 HydrophobicContact CG-CD2 3.81Å; R271-E350 IonicContact CZ-OE1 3.29Å; R271-E350 IonicContact NE-OE1 3.54Å; R271-E350 PolarHBondContact NE-OE1 3.25Å; R271-E350 IonicContact NE-OE2 3.69Å; R271-E350 PolarHBondContact NE-OE2 2.98Å; R271-E350 IonicContact NH2-OE1 3.03Å; R271-E350 PolarHBondContact NH2-OE1 3.35Å
272R91.7Very high83.3Confident115 Ų11561.9 Ų61.943%0.43433%0.334SS..Hα-helixtrans-62.5-45.2178.3-76.4-173.7-79-97.41.8112.1L240 E244 P268 D269 F274 L275 A276L240-R272 HydrophobicContact CD1-CG 4.16Å; L240-R272 HydrophobicContact CD2-CG 3.85Å; E244-R272 IonicContact OE1-NH1 3.87Å; P268-R272 PolarHBondContact O-N 3.27Å; D269-R272 PolarHBondContact O-N 3.18Å; D269-R272 VanDerWaalsContact O-N 3.16Å; R272-F274 VanDerWaalsContact C-N 3.35Å; R272-L275 PolarHBondContact O-N 3.43Å; R272-A276 WeakPolarHBondContact O-CB 3.44Å; R272-A276 PolarHBondContact O-N 3.32Å
273E91.6Very high85.4Confident129 Ų12962.5 Ų62.560%0.60334%0.338SS*.Hα-helixtrans-61.8-43.1176.5-72.6178.5-166.300111.9D269 L270 A276 G277D269-E273 WeakPolarHBondContact O-CG 3.43Å; D269-E273 PolarHBondContact O-N 3.13Å; L270-E273 PolarHBondContact O-N 3.06Å; E273-A276 PolarHBondContact O-N 3.14Å; E273-G277 PolarHBondContact O-N 3.49Å
274F92.5Very high87.3Confident17 Ų1763.5 Ų63.58%0.07534%0.343CS..Hα-helixtrans-59.2-50.4176.3167.5-108000112.3L270 R271 R272 A276 G277 I278 F324 L344 L347 V348 F351L270-F274 VanDerWaalsContact O-CB 3.24Å; L270-F274 WeakPolarHBondContact O-CB 3.34Å; L270-F274 PolarHBondContact O-N 3.2Å; R271-F274 PolarHBondContact O-N 3.22Å; R272-F274 VanDerWaalsContact C-N 3.35Å; F274-A276 PolarHBondContact O-N 2.98Å; F274-G277 PolarHBondContact O-N 3.21Å; F274-I278 HydrophobicContact CD2-CG1 4.05Å; F274-I278 HydrophobicContact CE1-CG1 4.27Å; F274-I278 HydrophobicContact CE2-CD1 3.85Å; F274-I278 HydrophobicContact CE2-CG1 3.66Å; F274-I278 HydrophobicContact CZ-CD1 4.1Å; F274-I278 HydrophobicContact CZ-CG1 3.79Å; F274-I278 VanDerWaalsContact O-CG1 3.29Å; F274-I278 WeakPolarHBondContact O-CG1 3.35Å; F274-I278 PolarHBondContact O-N 3.09Å; F274-F324 HydrophobicContact CZ-CE1 4.15Å; F274-F324 HydrophobicContact CZ-CZ 4.4Å; F274-L344 HydrophobicContact CD2-CD1 3.69Å; F274-L344 HydrophobicContact CE2-CD1 3.63Å; F274-L347 HydrophobicContact CB-CD1 3.9Å; F274-L347 HydrophobicContact CD1-CB 4.05Å; F274-L347 HydrophobicContact CD1-CD2 4.46Å; F274-L347 HydrophobicContact CD2-CB 4.12Å; F274-L347 HydrophobicContact CD2-CD1 4.39Å; F274-L347 HydrophobicContact CE1-CB 4.18Å; F274-L347 HydrophobicContact CE2-CB 4.25Å; F274-L347 HydrophobicContact CG-CB 4.02Å; F274-L347 HydrophobicContact CG-CD1 4.11Å; F274-L347 HydrophobicContact CG-CG 4.48Å; F274-L347 HydrophobicContact CZ-CB 4.27Å; F274-V348 HydrophobicContact CE2-CG2 3.77Å; F274-V348 HydrophobicContact CZ-CG2 3.83Å; F274-F351 HydrophobicContact CE1-CB 4.25Å
275L94Very high89.1Confident7 Ų757.5 Ų57.54%0.03730%0.304CS..Hα-helixtrans-67-37.9-179.4-61169.7000112.1L236 F239 L240 R271 R272 G277 I278 Q279 F351L236-L275 HydrophobicContact CD2-CB 4.28Å; L236-L275 HydrophobicContact CD2-CD2 3.58Å; L236-L275 HydrophobicContact CD2-CG 4.43Å; F239-L275 HydrophobicContact CD1-CD1 3.63Å; F239-L275 HydrophobicContact CD1-CD2 3.66Å; F239-L275 HydrophobicContact CD1-CG 4.17Å; F239-L275 HydrophobicContact CE1-CD1 4.17Å; F239-L275 HydrophobicContact CE1-CD2 4Å; F239-L275 HydrophobicContact CE1-CG 4.43Å; L240-L275 HydrophobicContact CD1-CD1 3.93Å; L240-L275 HydrophobicContact CD2-CD1 3.34Å; L240-L275 HydrophobicContact CG-CD1 3.32Å; R271-L275 VanDerWaalsContact O-CG 3.3Å; R271-L275 WeakPolarHBondContact O-CG 3.29Å; R271-L275 PolarHBondContact O-N 3.11Å; R272-L275 PolarHBondContact O-N 3.43Å; L275-G277 VanDerWaalsContact C-N 3.31Å; L275-G277 PolarHBondContact O-N 3.28Å; L275-I278 PolarHBondContact O-N 2.92Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 PolarHBondContact O-N 3.46Å; L275-F351 HydrophobicContact CD2-CD2 3.95Å; L275-F351 HydrophobicContact CD2-CE2 4.01Å
276A94.1Very high90.7Very high58 Ų5853.5 Ų53.548%0.47927%0.27SS..Hα-helixtrans-60.6-42.6172.900000111.2R272 E273 F274 Q279 H280R272-A276 WeakPolarHBondContact O-CB 3.44Å; R272-A276 PolarHBondContact O-N 3.32Å; E273-A276 PolarHBondContact O-N 3.14Å; F274-A276 PolarHBondContact O-N 2.98Å; A276-Q279 PolarHBondContact O-N 3.42Å; A276-H280 WeakPolarHBondContact O-CB 3.43Å; A276-H280 PolarHBondContact O-N 3.05Å
277G92.9Very high91.4Very high39 Ų3953.8 Ų53.840%0.40228%0.278SS..Hα-helixtrans-61.7-46.1174.200000112.6E273 F274 L275 H280 Y281E273-G277 PolarHBondContact O-N 3.49Å; F274-G277 PolarHBondContact O-N 3.21Å; L275-G277 VanDerWaalsContact C-N 3.31Å; L275-G277 PolarHBondContact O-N 3.28Å; G277-H280 PolarHBondContact O-N 2.98Å; G277-Y281 WeakPolarHBondContact O-CB 3.23Å; G277-Y281 PolarHBondContact O-N 3.46Å
278I94.1Very high91.8Very high9 Ų949 Ų495%0.04627%0.269CS..Hα-helixtrans-62.7-43.7177.6-68.6-71.8000111F274 L275 Y281 F282 L320 L323 F324 L327F274-I278 HydrophobicContact CD2-CG1 4.05Å; F274-I278 HydrophobicContact CE1-CG1 4.27Å; F274-I278 HydrophobicContact CE2-CD1 3.85Å; F274-I278 HydrophobicContact CE2-CG1 3.66Å; F274-I278 HydrophobicContact CZ-CD1 4.1Å; F274-I278 HydrophobicContact CZ-CG1 3.79Å; F274-I278 VanDerWaalsContact O-CG1 3.29Å; F274-I278 WeakPolarHBondContact O-CG1 3.35Å; F274-I278 PolarHBondContact O-N 3.09Å; L275-I278 PolarHBondContact O-N 2.92Å; I278-Y281 PolarHBondContact O-N 3.01Å; I278-F282 VanDerWaalsContact O-CB 3.3Å; I278-F282 WeakPolarHBondContact O-CB 3.48Å; I278-F282 PolarHBondContact O-N 2.95Å; I278-L320 HydrophobicContact CG2-CD1 3.67Å; I278-L323 HydrophobicContact CG2-CD2 3.98Å; I278-F324 HydrophobicContact CD1-CE1 4Å; I278-F324 HydrophobicContact CD1-CZ 4.23Å; I278-F324 HydrophobicContact CG2-CZ 4.48Å; I278-L327 HydrophobicContact CD1-CD2 4.1Å
279Q95.8Very high92.2Very high35 Ų3550.6 Ų50.616%0.16427%0.27CS..Hα-helixtrans-62.6-47.1176.7-169.9174.721.500111.8L236 L275 A276 Y281 F282 N283 R310 S312L236-Q279 HydrophobicContact CD1-CB 3.72Å; L236-Q279 HydrophobicContact CD1-CG 4.09Å; L275-Q279 WeakPolarHBondContact O-CB 3.46Å; L275-Q279 PolarHBondContact O-N 3.46Å; A276-Q279 PolarHBondContact O-N 3.42Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å; Q279-Y281 PolarHBondContact O-N 3.25Å; Q279-F282 PolarHBondContact O-N 3.38Å; Q279-N283 VanDerWaalsContact O-CG 3.31Å; Q279-N283 PolarHBondContact O-N 3.37Å; Q279-N283 VanDerWaalsContact O-N 3.13Å; Q279-N283 PolarHBondContact O-ND2 3.31Å; Q279-R310 VanDerWaalsContact NE2-CZ 3.3Å; Q279-S312 WeakPolarHBondContact CG-OG 3.45Å; Q279-S312 PolarHBondContact NE2-OG 3.49Å
280H93.9Very high92.6Very high134 Ų13448.6 Ų48.662%0.6226%0.26SS*.Hα-helixtrans-59.7-47.2177.3-179.773.8000111A276 G277 N283 L284A276-H280 WeakPolarHBondContact O-CB 3.43Å; A276-H280 PolarHBondContact O-N 3.05Å; G277-H280 PolarHBondContact O-N 2.98Å; H280-N283 PolarHBondContact O-N 3.06Å; H280-L284 PolarHBondContact O-N 3.27Å
281Y92.6Very high93Very high51 Ų5146.9 Ų46.920%0.225%0.25CS..Hα-helixtrans-65.1-41.9-178.9-167.6-117.9000112.2G277 I278 Q279 N283 L284 I285 L323 L327 M330G277-Y281 WeakPolarHBondContact O-CB 3.23Å; G277-Y281 PolarHBondContact O-N 3.46Å; I278-Y281 PolarHBondContact O-N 3.01Å; Q279-Y281 VanDerWaalsContact C-N 3.33Å; Q279-Y281 PolarHBondContact O-N 3.25Å; Y281-N283 PolarHBondContact O-N 3.12Å; Y281-L284 WeakPolarHBondContact O-CB 3.33Å; Y281-L284 PolarHBondContact O-N 3.49Å; Y281-L284 VanDerWaalsContact O-N 3.11Å; Y281-I285 HydrophobicContact CD1-CD1 4.12Å; Y281-I285 HydrophobicContact CD1-CG1 4.41Å; Y281-I285 HydrophobicContact CD1-CG2 4.5Å; Y281-I285 HydrophobicContact CD2-CG2 4.12Å; Y281-I285 HydrophobicContact CE1-CD1 3.76Å; Y281-I285 HydrophobicContact CE1-CG1 4.4Å; Y281-I285 HydrophobicContact CE1-CG2 4.21Å; Y281-I285 HydrophobicContact CE2-CG2 3.81Å; Y281-I285 HydrophobicContact CG-CG2 4.47Å; Y281-I285 WeakPolarHBondContact O-CG1 3.37Å; Y281-I285 PolarHBondContact O-N 2.92Å; Y281-L323 HydrophobicContact CD1-CD1 3.34Å; Y281-L323 HydrophobicContact CD1-CD2 4.31Å; Y281-L323 HydrophobicContact CD1-CG 4.46Å; Y281-L323 HydrophobicContact CE1-CD1 3.49Å; Y281-L323 VanDerWaalsContact CE1-CD1 3.49Å; Y281-L327 HydrophobicContact CD1-CD1 4.31Å; Y281-L327 HydrophobicContact CE1-CD1 3.84Å; Y281-M330 HydrophobicContact CE1-SD 4.37Å; Y281-M330 HydrophobicContact CE2-CE 4.4Å; Y281-M330 VanDerWaalsContact OH-CB 3.3Å; Y281-M330 WeakPolarHBondContact OH-CB 3.36Å; Y281-M330 WeakPolarHBondContact OH-CE 3.29Å; Y281-M330 PolarHBondContact OH-SD 3.48Å
282F96Very high93.3Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-55.1-50.3173.9-179.8-94.2000111.7I232 I278 Q279 L284 I285 I286 L290 M311 Y315 H319 L320 L323I232-F282 HydrophobicContact CD1-CD1 3.82Å; I232-F282 HydrophobicContact CD1-CD2 3.82Å; I232-F282 HydrophobicContact CD1-CE1 3.45Å; I232-F282 VanDerWaalsContact CD1-CE1 3.45Å; I232-F282 HydrophobicContact CD1-CE2 3.44Å; I232-F282 VanDerWaalsContact CD1-CE2 3.44Å; I232-F282 HydrophobicContact CD1-CG 4Å; I232-F282 HydrophobicContact CD1-CZ 3.25Å; I278-F282 VanDerWaalsContact O-CB 3.3Å; I278-F282 WeakPolarHBondContact O-CB 3.48Å; I278-F282 PolarHBondContact O-N 2.95Å; Q279-F282 PolarHBondContact O-N 3.38Å; F282-L284 PolarHBondContact O-N 2.74Å; F282-I285 PolarHBondContact O-N 3.34Å; F282-I286 HydrophobicContact CE1-CB 4.3Å; F282-I286 HydrophobicContact CE1-CG1 4.29Å; F282-I286 HydrophobicContact CE2-CB 4.48Å; F282-I286 HydrophobicContact CE2-CD1 3.92Å; F282-I286 HydrophobicContact CE2-CG1 4.44Å; F282-I286 HydrophobicContact CZ-CB 4.16Å; F282-I286 HydrophobicContact CZ-CD1 3.66Å; F282-I286 HydrophobicContact CZ-CG1 3.87Å; F282-I286 WeakPolarHBondContact O-CB 3.36Å; F282-I286 WeakPolarHBondContact O-CG2 3.49Å; F282-I286 PolarHBondContact O-N 3.16Å; F282-L290 HydrophobicContact CD2-CD1 3.69Å; F282-L290 HydrophobicContact CE2-CD1 3.65Å; F282-M311 HydrophobicContact CE1-CB 4.12Å; F282-Y315 HydrophobicContact CE1-CD2 4.24Å; F282-Y315 HydrophobicContact CE1-CG 4.33Å; F282-Y315 HydrophobicContact CZ-CD2 4.22Å; F282-Y315 AromaticContact CZ-CG 3.97Å; F282-Y315 HydrophobicContact CZ-CG 3.97Å; F282-H319 HydrophobicContact CE2-CB 3.77Å; F282-H319 HydrophobicContact CZ-CB 3.89Å; F282-L320 HydrophobicContact CD2-CD1 4.39Å; F282-L323 HydrophobicContact CB-CD2 3.96Å; F282-L323 HydrophobicContact CD2-CB 4.45Å; F282-L323 HydrophobicContact CD2-CD2 4.25Å
283N94.8Very high93.4Very high47 Ų4751.7 Ų51.725%0.25127%0.274SS..Hα-helixtrans-59.9-31179.3-67.7-40.1000112.3Q279 H280 Y281 M311 S312Q279-N283 VanDerWaalsContact O-CG 3.31Å; Q279-N283 PolarHBondContact O-N 3.37Å; Q279-N283 VanDerWaalsContact O-N 3.13Å; Q279-N283 PolarHBondContact O-ND2 3.31Å; H280-N283 PolarHBondContact O-N 3.06Å; Y281-N283 PolarHBondContact O-N 3.12Å; N283-M311 PolarHBondContact OD1-N 3.02Å; N283-S312 PolarHBondContact ND2-OG 2.86Å; N283-S312 WeakPolarHBondContact OD1-CB 3.39Å; N283-S312 PolarHBondContact OD1-N 3Å; N283-S312 PolarHBondContact OD1-OG 3.45Å; N283-S312 VanDerWaalsContact OD1-OG 3.05Å
284L91.9Very high93.5Very high119 Ų11946.8 Ų46.862%0.62325%0.251SS*.Hα-helixtrans-76.5-43.9178.3-177.665.1000112.7H280 Y281 F282H280-L284 PolarHBondContact O-N 3.27Å; Y281-L284 WeakPolarHBondContact O-CB 3.33Å; Y281-L284 PolarHBondContact O-N 3.49Å; Y281-L284 VanDerWaalsContact O-N 3.11Å; F282-L284 PolarHBondContact O-N 2.74Å
285I92.8Very high93.7Very high5 Ų546 Ų463%0.02625%0.247CC..Hα-helixtrans-98-14.8-16772.1156.2000115Y281 F282 G287 S288 H289 L290 L323 M330Y281-I285 HydrophobicContact CD1-CD1 4.12Å; Y281-I285 HydrophobicContact CD1-CG1 4.41Å; Y281-I285 HydrophobicContact CD1-CG2 4.5Å; Y281-I285 HydrophobicContact CD2-CG2 4.12Å; Y281-I285 HydrophobicContact CE1-CD1 3.76Å; Y281-I285 HydrophobicContact CE1-CG1 4.4Å; Y281-I285 HydrophobicContact CE1-CG2 4.21Å; Y281-I285 HydrophobicContact CE2-CG2 3.81Å; Y281-I285 HydrophobicContact CG-CG2 4.47Å; Y281-I285 WeakPolarHBondContact O-CG1 3.37Å; Y281-I285 PolarHBondContact O-N 2.92Å; F282-I285 PolarHBondContact O-N 3.34Å; I285-G287 PolarHBondContact O-N 3.27Å; I285-S288 PolarHBondContact O-N 3.01Å; I285-S288 VanDerWaalsContact O-N 3.09Å; I285-S288 PolarHBondContact O-OG 3.09Å; I285-S288 VanDerWaalsContact O-OG 3.14Å; I285-H289 PolarHBondContact O-N 3.3Å; I285-L290 HydrophobicContact CD1-CD1 3.95Å; I285-L290 HydrophobicContact CD1-CD2 3.73Å; I285-L290 HydrophobicContact CD1-CG 3.81Å; I285-L290 HydrophobicContact CG1-CD1 3.85Å; I285-L290 HydrophobicContact CG1-CD2 4.43Å; I285-L290 HydrophobicContact CG1-CG 3.96Å; I285-L323 HydrophobicContact CD1-CD1 3.35Å; I285-L323 HydrophobicContact CG1-CD1 4.23Å; I285-M330 HydrophobicContact CD1-SD 4.35Å; I285-M330 HydrophobicContact CG2-CE 4.3Å
286I94.6Very high93.7Very high0 Ų052.4 Ų52.40%027%0.271CS..Iπ-helixtrans-51.5-53.2-174.5-177.358.3000112.3F282 S288 L290 L291 Y299 M311 Y315 H319F282-I286 HydrophobicContact CE1-CB 4.3Å; F282-I286 HydrophobicContact CE1-CG1 4.29Å; F282-I286 HydrophobicContact CE2-CB 4.48Å; F282-I286 HydrophobicContact CE2-CD1 3.92Å; F282-I286 HydrophobicContact CE2-CG1 4.44Å; F282-I286 HydrophobicContact CZ-CB 4.16Å; F282-I286 HydrophobicContact CZ-CD1 3.66Å; F282-I286 HydrophobicContact CZ-CG1 3.87Å; F282-I286 WeakPolarHBondContact O-CB 3.36Å; F282-I286 WeakPolarHBondContact O-CG2 3.49Å; F282-I286 PolarHBondContact O-N 3.16Å; I286-S288 PolarHBondContact O-N 2.81Å; I286-S288 VanDerWaalsContact O-N 3.16Å; I286-L290 HydrophobicContact CB-CD1 4.33Å; I286-L290 HydrophobicContact CD1-CB 3.67Å; I286-L290 HydrophobicContact CD1-CD1 4Å; I286-L290 HydrophobicContact CD1-CG 4.41Å; I286-L290 PolarHBondContact O-N 2.99Å; I286-L291 HydrophobicContact CD1-CD2 3.62Å; I286-L291 HydrophobicContact CD1-CG 3.94Å; I286-L291 HydrophobicContact CG1-CD2 4.31Å; I286-L291 HydrophobicContact CG1-CG 4.33Å; I286-L291 WeakPolarHBondContact O-CG 3.38Å; I286-Y299 HydrophobicContact CG2-CE2 4.27Å; I286-M311 HydrophobicContact CG2-CB 3.87Å; I286-M311 HydrophobicContact CG2-CG 3.81Å; I286-Y315 HydrophobicContact CD1-CD1 4.49Å; I286-Y315 HydrophobicContact CD1-CD2 4.49Å; I286-Y315 HydrophobicContact CD1-CE1 4.4Å; I286-Y315 HydrophobicContact CD1-CE2 4.43Å; I286-Y315 HydrophobicContact CG1-CD2 4.05Å; I286-Y315 HydrophobicContact CG1-CE2 3.83Å; I286-H319 HydrophobicContact CD1-CB 4.42Å
287G89.1Confident93.7Very high25 Ų2551.3 Ų51.326%0.25826%0.257SS..Iπ-helixtrans-67.6-15.9-177.200000115.6I285 Y299I285-G287 PolarHBondContact O-N 3.27Å; G287-Y299 VanDerWaalsContact CA-CZ 3.48Å
288S89.9Confident93.8Very high60 Ų6050.8 Ų50.842%0.4224%0.244SC..Iπ-helixtrans-109.2-38.9-174.650.60000113.8I285 I286I285-S288 PolarHBondContact O-N 3.01Å; I285-S288 VanDerWaalsContact O-N 3.09Å; I285-S288 PolarHBondContact O-OG 3.09Å; I285-S288 VanDerWaalsContact O-OG 3.14Å; I286-S288 PolarHBondContact O-N 2.81Å; I286-S288 VanDerWaalsContact O-N 3.16Å
289H89.8Confident93.9Very high102 Ų10252.5 Ų52.547%0.47225%0.25SS..Iπ-helixtrans-125.9-17.3-166.8-64.187.5000115.6I285I285-H289 PolarHBondContact O-N 3.3Å
290L95.5Very high93.7Very high5 Ų552.9 Ų52.93%0.02626%0.259CS..Iπ-helixtrans-101.9-20.6-172.4-59.4-174.5000114.4F282 I285 I286 R322 L323 K326F282-L290 HydrophobicContact CD2-CD1 3.69Å; F282-L290 HydrophobicContact CE2-CD1 3.65Å; I285-L290 HydrophobicContact CD1-CD1 3.95Å; I285-L290 HydrophobicContact CD1-CD2 3.73Å; I285-L290 HydrophobicContact CD1-CG 3.81Å; I285-L290 HydrophobicContact CG1-CD1 3.85Å; I285-L290 HydrophobicContact CG1-CD2 4.43Å; I285-L290 HydrophobicContact CG1-CG 3.96Å; I286-L290 HydrophobicContact CB-CD1 4.33Å; I286-L290 HydrophobicContact CD1-CB 3.67Å; I286-L290 HydrophobicContact CD1-CD1 4Å; I286-L290 HydrophobicContact CD1-CG 4.41Å; I286-L290 PolarHBondContact O-N 2.99Å; L290-R322 HydrophobicContact CD2-CB 4.37Å; L290-R322 WeakPolarHBondContact O-CD 3.36Å; L290-R322 PolarHBondContact O-NH1 3.29Å; L290-R322 VanDerWaalsContact O-NH1 3.17Å; L290-L323 HydrophobicContact CD1-CB 3.9Å; L290-L323 HydrophobicContact CD2-CB 4.17Å; L290-K326 HydrophobicContact CD2-CB 4.15Å; L290-K326 HydrophobicContact CD2-CG 3.81Å
291L96.1Very high93.6Very high14 Ų1448.4 Ų48.47%0.07324%0.238CC..SBendtrans-93.4133.5-177.8-59.7177.9000111.8I286 E295 Y299 Y315I286-L291 HydrophobicContact CD1-CD2 3.62Å; I286-L291 HydrophobicContact CD1-CG 3.94Å; I286-L291 HydrophobicContact CG1-CD2 4.31Å; I286-L291 HydrophobicContact CG1-CG 4.33Å; I286-L291 WeakPolarHBondContact O-CG 3.38Å; L291-E295 HydrophobicContact CB-CB 4.2Å; L291-E295 HydrophobicContact CD2-CB 4.24Å; L291-Y299 VanDerWaalsContact CD1-CB 3.42Å; L291-Y299 HydrophobicContact CD1-CD1 4.16Å; L291-Y299 HydrophobicContact CD1-CD2 3.72Å; L291-Y299 HydrophobicContact CD1-CG 3.5Å; L291-Y299 VanDerWaalsContact CD1-CG 3.5Å; L291-Y315 HydrophobicContact CD2-CE1 4.04Å
292Y95.4Very high93.5Very high58 Ų5846.6 Ų46.623%0.22723%0.232CC..  trans-67.4162.4169.3-58.9-58.3000110.8W214 I217 F294 E295 R322W214-Y292 AromaticContact CD1-CE1 3.69Å; W214-Y292 AromaticContact CD1-CZ 3.85Å; I217-Y292 HydrophobicContact CB-CD2 4.07Å; I217-Y292 HydrophobicContact CD1-CD2 3.9Å; I217-Y292 HydrophobicContact CD1-CE2 4.04Å; I217-Y292 HydrophobicContact CG2-CD2 3.79Å; I217-Y292 HydrophobicContact CG2-CG 4.39Å; Y292-F294 PolarHBondContact O-N 3.39Å; Y292-F294 VanDerWaalsContact O-N 3.16Å; Y292-E295 WeakPolarHBondContact CB-OE2 3.02Å; Y292-E295 WeakPolarHBondContact CD2-OE2 3.38Å; Y292-E295 PolarHBondContact N-OE2 2.9Å; Y292-E295 PolarHBondContact O-N 3.13Å; Y292-E295 VanDerWaalsContact O-N 3.1Å; Y292-R322 VanDerWaalsContact CE2-CZ 3.42Å
293K93.1Very high93.2Very high172 Ų17250 Ų5075%0.74825%0.25SC*.G310 helixtrans-53.7-39.9-179.6-173.3-177.4175.4-1710111.7E295 R296K293-E295 VanDerWaalsContact C-N 3.34Å; K293-E295 PolarHBondContact O-N 3.41Å; K293-R296 PolarHBondContact O-N 3.3Å
294F95Very high93Very high26 Ų2655.9 Ų55.911%0.11427%0.273CS..G310 helixtrans-68.9-26.8-177.5-166.2-114.5000114I217 A221 L223 Y292 A371 Y375 Q376 A379I217-F294 HydrophobicContact CG2-CB 4.16Å; I217-F294 HydrophobicContact CG2-CD1 4.22Å; A221-F294 HydrophobicContact CB-CE1 4.24Å; A221-F294 HydrophobicContact CB-CZ 3.94Å; L223-F294 HydrophobicContact CD2-CD1 3.64Å; L223-F294 HydrophobicContact CD2-CE1 3.77Å; L223-F294 HydrophobicContact CG-CD1 4.31Å; L223-F294 HydrophobicContact CG-CE1 3.94Å; Y292-F294 PolarHBondContact O-N 3.39Å; Y292-F294 VanDerWaalsContact O-N 3.16Å; F294-A371 HydrophobicContact CE1-CB 3.83Å; F294-A371 HydrophobicContact CZ-CB 3.67Å; F294-Y375 HydrophobicContact CD1-CE1 4.36Å; F294-Y375 HydrophobicContact CD2-CE1 4.41Å; F294-Y375 HydrophobicContact CE1-CD1 4.31Å; F294-Y375 AromaticContact CE1-CE1 3.96Å; F294-Y375 HydrophobicContact CE1-CE1 3.96Å; F294-Y375 HydrophobicContact CE2-CD1 4.18Å; F294-Y375 HydrophobicContact CE2-CE1 4.02Å; F294-Y375 AromaticContact CZ-CD1 3.8Å; F294-Y375 HydrophobicContact CZ-CD1 3.8Å; F294-Y375 AromaticContact CZ-CE1 3.77Å; F294-Y375 HydrophobicContact CZ-CE1 3.77Å; F294-Y375 WeakPolarHBondContact O-CE1 3.46Å; F294-Y375 PolarHBondContact O-OH 2.77Å; F294-Q376 HydrophobicContact CE2-CG 4.38Å; F294-Q376 HydrophobicContact CZ-CG 4.01Å; F294-A379 HydrophobicContact CD2-CB 3.8Å; F294-A379 HydrophobicContact CE2-CB 3.79Å
295E95.6Very high92.8Very high0 Ų058.8 Ų58.80%028%0.276CS..G310 helixtrans-85.6-13.6-179.5-65.3167.3117.600113I217 L223 L291 Y292 K293 L297 Q298 Y299 H319 R322I217-E295 HydrophobicContact CD1-CG 4.43Å; I217-E295 WeakPolarHBondContact CD1-OE1 3.37Å; I217-E295 HydrophobicContact CG2-CG 3.86Å; L223-E295 HydrophobicContact CD2-CG 4.21Å; L291-E295 HydrophobicContact CB-CB 4.2Å; L291-E295 HydrophobicContact CD2-CB 4.24Å; Y292-E295 WeakPolarHBondContact CB-OE2 3.02Å; Y292-E295 WeakPolarHBondContact CD2-OE2 3.38Å; Y292-E295 PolarHBondContact N-OE2 2.9Å; Y292-E295 PolarHBondContact O-N 3.13Å; Y292-E295 VanDerWaalsContact O-N 3.1Å; K293-E295 VanDerWaalsContact C-N 3.34Å; K293-E295 PolarHBondContact O-N 3.41Å; E295-L297 PolarHBondContact O-N 3.48Å; E295-Q298 WeakPolarHBondContact O-CB 3.4Å; E295-Q298 PolarHBondContact O-N 2.86Å; E295-Q298 VanDerWaalsContact O-N 3.17Å; E295-Y299 PolarHBondContact O-N 3.37Å; E295-H319 IonicContact OE1-NE2 2.89Å; E295-R322 VanDerWaalsContact CD-NH1 3.27Å; E295-R322 IonicContact OE1-CZ 2.86Å; E295-R322 IonicContact OE1-NH1 3.45Å; E295-R322 PolarHBondContact OE1-NH1 3.45Å; E295-R322 IonicContact OE1-NH2 3.92Å; E295-R322 PolarHBondContact OE1-NH2 2.94Å; E295-R322 IonicContact OE2-CZ 2.63Å; E295-R322 IonicContact OE2-NH1 3.78Å; E295-R322 PolarHBondContact OE2-NH1 3.46Å; E295-R322 IonicContact OE2-NH2 2.69Å
296R94.8Very high92.2Very high141 Ų14160.8 Ų60.853%0.53229%0.285SS..Hα-helixtrans-61.7-32.6-175.3-69.2-171.6172-156.3-5.9113.2K293 A300K293-R296 PolarHBondContact O-N 3.3Å; R296-A300 WeakPolarHBondContact O-CB 3.46Å; R296-A300 PolarHBondContact O-N 3.41Å
297L94.6Very high91.4Very high36 Ų3666.7 Ų66.719%0.18832%0.321CS..Hα-helixtrans-67.3-47.6176.2-177.664.5000111E295 Y299 A300 E301 Y375 R378 A379E295-L297 PolarHBondContact O-N 3.48Å; L297-Y299 VanDerWaalsContact C-N 3.3Å; L297-Y299 PolarHBondContact O-N 2.82Å; L297-A300 PolarHBondContact O-N 3.2Å; L297-E301 WeakPolarHBondContact O-CG 3.47Å; L297-E301 PolarHBondContact O-N 2.84Å; L297-Y375 HydrophobicContact CB-CE2 3.98Å; L297-Y375 HydrophobicContact CD2-CD2 3.92Å; L297-Y375 HydrophobicContact CD2-CE1 4.49Å; L297-Y375 HydrophobicContact CD2-CE2 3.79Å; L297-Y375 HydrophobicContact CD2-CG 4.35Å; L297-Y375 HydrophobicContact CG-CD2 4.43Å; L297-Y375 HydrophobicContact CG-CE2 3.88Å; L297-R378 HydrophobicContact CD2-CB 3.52Å; L297-A379 HydrophobicContact CD2-CB 4.23Å
298Q94.5Very high91.3Very high28 Ų2871.5 Ų71.513%0.13134%0.341CS..Hα-helixtrans-56.4-43.7174-173.9-174.324.300111.3Y224 L226 E295 E301 L302 Y375Y224-Q298 PolarHBondContact O-NE2 2.75Å; L226-Q298 HydrophobicContact CD1-CG 4.29Å; E295-Q298 WeakPolarHBondContact O-CB 3.4Å; E295-Q298 PolarHBondContact O-N 2.86Å; E295-Q298 VanDerWaalsContact O-N 3.17Å; Q298-E301 PolarHBondContact O-N 2.72Å; Q298-L302 VanDerWaalsContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CB 3.44Å; Q298-L302 PolarHBondContact O-N 3.05Å; Q298-Y375 HydrophobicContact CB-CE2 4.1Å; Q298-Y375 WeakPolarHBondContact CB-OH 3.42Å; Q298-Y375 PolarHBondContact N-OH 2.77Å
299Y95.2Very high91.2Very high45 Ų4573.5 Ų73.518%0.17634%0.342CS..Hα-helixtrans-63.4-42.1176.7178.4-106.8000113.1I286 G287 L291 E295 L297 E301 L302 L303 M311 Y315I286-Y299 HydrophobicContact CG2-CE2 4.27Å; G287-Y299 VanDerWaalsContact CA-CZ 3.48Å; L291-Y299 VanDerWaalsContact CD1-CB 3.42Å; L291-Y299 HydrophobicContact CD1-CD1 4.16Å; L291-Y299 HydrophobicContact CD1-CD2 3.72Å; L291-Y299 HydrophobicContact CD1-CG 3.5Å; L291-Y299 VanDerWaalsContact CD1-CG 3.5Å; E295-Y299 PolarHBondContact O-N 3.37Å; L297-Y299 VanDerWaalsContact C-N 3.3Å; L297-Y299 PolarHBondContact O-N 2.82Å; Y299-E301 VanDerWaalsContact C-N 3.29Å; Y299-E301 PolarHBondContact O-N 2.82Å; Y299-L302 WeakPolarHBondContact O-CB 3.3Å; Y299-L302 PolarHBondContact O-N 3.31Å; Y299-L303 HydrophobicContact CD1-CD1 3.93Å; Y299-L303 HydrophobicContact CE1-CD1 3.4Å; Y299-L303 HydrophobicContact CE1-CG 4.1Å; Y299-L303 HydrophobicContact CE2-CD1 4.47Å; Y299-L303 HydrophobicContact CE2-CG 4.31Å; Y299-L303 WeakPolarHBondContact O-CG 3.32Å; Y299-L303 PolarHBondContact O-N 3.23Å; Y299-M311 HydrophobicContact CE2-CE 3.68Å; Y299-M311 HydrophobicContact CE2-SD 3.84Å; Y299-Y315 HydrophobicContact CD2-CE2 4.34Å; Y299-Y315 WeakPolarHBondContact CD2-OH 3.25Å
300A92.6Very high91.3Very high43 Ų4374.3 Ų74.336%0.35534%0.341SS..Hα-helixtrans-64.3-34.5176.200000112.4R296 L297 K304R296-A300 WeakPolarHBondContact O-CB 3.46Å; R296-A300 PolarHBondContact O-N 3.41Å; L297-A300 PolarHBondContact O-N 3.2Å; A300-K304 WeakPolarHBondContact O-CG 3.24Å
301E91.7Very high91.2Very high39 Ų3974.9 Ų74.918%0.18234%0.344CS..Hα-helixtrans-71.9-39.5173-68.9-178.8173.900112L297 Q298 Y299 L303 K304 R305 R378L297-E301 WeakPolarHBondContact O-CG 3.47Å; L297-E301 PolarHBondContact O-N 2.84Å; Q298-E301 PolarHBondContact O-N 2.72Å; Y299-E301 VanDerWaalsContact C-N 3.29Å; Y299-E301 PolarHBondContact O-N 2.82Å; E301-L303 PolarHBondContact O-N 3.43Å; E301-K304 WeakPolarHBondContact O-CB 3.2Å; E301-K304 PolarHBondContact O-N 3.43Å; E301-K304 VanDerWaalsContact O-N 3.12Å; E301-R305 WeakPolarHBondContact O-CG 3.27Å; E301-R305 PolarHBondContact O-N 3.08Å; E301-R378 IonicContact OE1-CZ 3.17Å; E301-R378 IonicContact OE1-NH1 2.75Å; E301-R378 PolarHBondContact OE1-NH1 3.19Å; E301-R378 IonicContact OE1-NH2 2.76Å; E301-R378 PolarHBondContact OE1-NH2 3.31Å
302L91.3Very high91.1Very high13 Ų1374.2 Ų74.27%0.06834%0.34CS..Hα-helixtrans-61.6-43.9177.3-167.977.1000111.7L226 Q298 Y299 K304 R305 H306 M311 I314 Y315L226-L302 HydrophobicContact CD1-CD2 4.39Å; Q298-L302 VanDerWaalsContact O-CB 3.31Å; Q298-L302 WeakPolarHBondContact O-CB 3.44Å; Q298-L302 PolarHBondContact O-N 3.05Å; Y299-L302 WeakPolarHBondContact O-CB 3.3Å; Y299-L302 PolarHBondContact O-N 3.31Å; L302-K304 PolarHBondContact O-N 3.01Å; L302-R305 PolarHBondContact O-N 3.27Å; L302-R305 VanDerWaalsContact O-N 3.15Å; L302-H306 PolarHBondContact O-N 3.03Å; L302-M311 HydrophobicContact CD2-SD 4.07Å; L302-I314 HydrophobicContact CD1-CD1 4.26Å; L302-I314 HydrophobicContact CD1-CG2 3.83Å; L302-I314 HydrophobicContact CD2-CB 4.42Å; L302-I314 HydrophobicContact CD2-CD1 3.96Å; L302-I314 HydrophobicContact CD2-CG2 3.78Å; L302-I314 HydrophobicContact CG-CD1 4.12Å; L302-I314 HydrophobicContact CG-CG2 4.35Å; L302-Y315 HydrophobicContact CD2-CE2 3.73Å
303L89.8Confident91.1Very high72 Ų7274 Ų7438%0.37734%0.343SS..Hα-helixtrans-58.7-29.4174.7-79.8173.6000113.2Y299 E301 T307 M311Y299-L303 HydrophobicContact CD1-CD1 3.93Å; Y299-L303 HydrophobicContact CE1-CD1 3.4Å; Y299-L303 HydrophobicContact CE1-CG 4.1Å; Y299-L303 HydrophobicContact CE2-CD1 4.47Å; Y299-L303 HydrophobicContact CE2-CG 4.31Å; Y299-L303 WeakPolarHBondContact O-CG 3.32Å; Y299-L303 PolarHBondContact O-N 3.23Å; E301-L303 PolarHBondContact O-N 3.43Å; L303-T307 WeakPolarHBondContact O-CG2 3.47Å; L303-M311 HydrophobicContact CD2-CE 3.27Å; L303-M311 HydrophobicContact CG-CE 4.01Å
304K90.5Very high91.1Very high171 Ų17165.9 Ų65.974%0.74331%0.308SS*.Hα-helixtrans-80.7-36.4176.7-66172.8-176.2-179.10112.3A300 E301 L302A300-K304 WeakPolarHBondContact O-CG 3.24Å; E301-K304 WeakPolarHBondContact O-CB 3.2Å; E301-K304 PolarHBondContact O-N 3.43Å; E301-K304 VanDerWaalsContact O-N 3.12Å; L302-K304 PolarHBondContact O-N 3.01Å
305R87.7Confident91.2Very high180 Ų18064.6 Ų64.668%0.67930%0.302SS*.Hα-helixtrans-80-33.4-177.3-68.9-179.2-174.8-177.24.6113.2E301 L302E301-R305 WeakPolarHBondContact O-CG 3.27Å; E301-R305 PolarHBondContact O-N 3.08Å; L302-R305 PolarHBondContact O-N 3.27Å; L302-R305 VanDerWaalsContact O-N 3.15Å
306H78.3Confident91.2Very high47 Ų4764.6 Ų64.622%0.21830%0.302CS..  trans-132.263.5-169.7-62.4-59.8000111.1L302 D308 K309 I314L302-H306 PolarHBondContact O-N 3.03Å; H306-D308 PolarHBondContact O-N 3.04Å; H306-K309 HydrophobicContact CB-CB 4.37Å; H306-I314 HydrophobicContact CB-CD1 3.94Å
307T79.3Confident91.2Very high123 Ų12357.9 Ų57.976%0.75528%0.277SS*.SBendtrans-68.7-19.1175.849.40000113.2L303L303-T307 WeakPolarHBondContact O-CG2 3.47Å
308D85.9Confident91.3Very high126 Ų12656.2 Ų56.267%0.67427%0.268SS*.SBendtrans-94.9-17.3-173.763.8-44.2000114.2H306H306-D308 PolarHBondContact O-N 3.04Å
309K88.5Confident91.4Very high102 Ų10254.9 Ų54.944%0.44326%0.262SS..SBendtrans-99148.4-175.8-65.6-175-179.4-177.10112.1H306 I314H306-K309 HydrophobicContact CB-CB 4.37Å; K309-I314 HydrophobicContact CB-CD1 4.04Å; K309-I314 HydrophobicContact CB-CG1 4.32Å
310R91.8Very high91.4Very high119 Ų11952.8 Ų52.845%0.44925%0.254SS..  trans-77.1147.2172.4-51.7175.6-61.81752.5109.4Q279 S312 D313Q279-R310 VanDerWaalsContact NE2-CZ 3.3Å; R310-S312 PolarHBondContact O-N 2.91Å; R310-D313 WeakPolarHBondContact CB-OD2 3.48Å; R310-D313 IonicContact CZ-OD1 3.5Å; R310-D313 IonicContact CZ-OD2 3.43Å; R310-D313 IonicContact NE-OD1 3.05Å; R310-D313 IonicContact NE-OD2 3.37Å; R310-D313 PolarHBondContact NE-OD2 3.31Å; R310-D313 IonicContact NH2-OD1 3.35Å; R310-D313 PolarHBondContact NH2-OD1 3.4Å; R310-D313 IonicContact NH2-OD2 3.78Å; R310-D313 PolarHBondContact NH2-OD2 3.47Å; R310-D313 WeakPolarHBondContact O-CB 3.34Å; R310-D313 PolarHBondContact O-N 3.37Å
311M92.6Very high91.6Very high18 Ų1850.7 Ų50.79%0.08924%0.237CC..G310 helixtrans-61.4-35.5180-64.6-61.9169.500112.4F282 N283 I286 Y299 L302 L303 D313 I314 Y315F282-M311 HydrophobicContact CE1-CB 4.12Å; N283-M311 PolarHBondContact OD1-N 3.02Å; I286-M311 HydrophobicContact CG2-CB 3.87Å; I286-M311 HydrophobicContact CG2-CG 3.81Å; Y299-M311 HydrophobicContact CE2-CE 3.68Å; Y299-M311 HydrophobicContact CE2-SD 3.84Å; L302-M311 HydrophobicContact CD2-SD 4.07Å; L303-M311 HydrophobicContact CD2-CE 3.27Å; L303-M311 HydrophobicContact CG-CE 4.01Å; M311-D313 PolarHBondContact O-N 3.09Å; M311-I314 PolarHBondContact O-N 3.44Å; M311-Y315 HydrophobicContact CB-CD2 4.17Å; M311-Y315 WeakPolarHBondContact O-CD2 3.36Å; M311-Y315 PolarHBondContact O-N 3.32Å; M311-Y315 HydrophobicContact SD-CD2 4.4Å; M311-Y315 HydrophobicContact SD-CE2 3.98Å
312S94.2Very high91.7Very high0 Ų049.4 Ų49.40%023%0.23CC..G310 helixtrans-61.5-19.8172.748.70000114.8I232 S233 Q279 N283 R310I232-S312 WeakPolarHBondContact CB-O 3.48Å; I232-S312 PolarHBondContact N-O 3.21Å; I232-S312 VanDerWaalsContact N-O 3.14Å; S233-S312 PolarHBondContact N-O 3.25Å; Q279-S312 WeakPolarHBondContact CG-OG 3.45Å; Q279-S312 PolarHBondContact NE2-OG 3.49Å; N283-S312 PolarHBondContact ND2-OG 2.86Å; N283-S312 WeakPolarHBondContact OD1-CB 3.39Å; N283-S312 PolarHBondContact OD1-N 3Å; N283-S312 PolarHBondContact OD1-OG 3.45Å; N283-S312 VanDerWaalsContact OD1-OG 3.05Å; R310-S312 PolarHBondContact O-N 2.91Å
313D95Very high91.9Very high52 Ų5248.8 Ų48.828%0.27823%0.227SC..G310 helixtrans-89.6-6.3175.2-58.5-44.9000112.4P231 S233 R310 M311P231-D313 WeakPolarHBondContact CB-O 3.34Å; S233-D313 WeakPolarHBondContact CB-OD1 3.12Å; S233-D313 PolarHBondContact OG-OD1 2.84Å; R310-D313 WeakPolarHBondContact CB-OD2 3.48Å; R310-D313 IonicContact CZ-OD1 3.5Å; R310-D313 IonicContact CZ-OD2 3.43Å; R310-D313 IonicContact NE-OD1 3.05Å; R310-D313 IonicContact NE-OD2 3.37Å; R310-D313 PolarHBondContact NE-OD2 3.31Å; R310-D313 IonicContact NH2-OD1 3.35Å; R310-D313 PolarHBondContact NH2-OD1 3.4Å; R310-D313 IonicContact NH2-OD2 3.78Å; R310-D313 PolarHBondContact NH2-OD2 3.47Å; R310-D313 WeakPolarHBondContact O-CB 3.34Å; R310-D313 PolarHBondContact O-N 3.37Å; M311-D313 PolarHBondContact O-N 3.09Å
314I95.1Very high92Very high2 Ų245.4 Ų45.41%0.0121%0.209CC..THydrogen-bonded Turntrans-111.8-44.1-177.2-58.5170.9000111.2L226 P227 A228 L302 H306 K309 M311L226-I314 HydrophobicContact CB-CG2 4.2Å; L226-I314 HydrophobicContact CD2-CG2 4.37Å; P227-I314 HydrophobicContact CB-CG2 4.4Å; A228-I314 WeakPolarHBondContact CB-O 3.44Å; A228-I314 PolarHBondContact N-O 2.82Å; L302-I314 HydrophobicContact CD1-CD1 4.26Å; L302-I314 HydrophobicContact CD1-CG2 3.83Å; L302-I314 HydrophobicContact CD2-CB 4.42Å; L302-I314 HydrophobicContact CD2-CD1 3.96Å; L302-I314 HydrophobicContact CD2-CG2 3.78Å; L302-I314 HydrophobicContact CG-CD1 4.12Å; L302-I314 HydrophobicContact CG-CG2 4.35Å; H306-I314 HydrophobicContact CB-CD1 3.94Å; K309-I314 HydrophobicContact CB-CD1 4.04Å; K309-I314 HydrophobicContact CB-CG1 4.32Å; M311-I314 PolarHBondContact O-N 3.44Å
315Y97.1Very high91.9Very high0 Ų039.6 Ų39.60%019%0.188CC..  trans-83.6152.5-176.2-78-79.3000112.2L226 P231 I232 F282 I286 L291 Y299 L302 M311 H319L226-Y315 HydrophobicContact CD1-CD1 4.01Å; L226-Y315 HydrophobicContact CD1-CE1 3.47Å; L226-Y315 VanDerWaalsContact CD1-CE1 3.47Å; L226-Y315 HydrophobicContact CD2-CD1 3.75Å; L226-Y315 HydrophobicContact CD2-CE1 4.08Å; L226-Y315 HydrophobicContact CD2-CG 4.34Å; L226-Y315 HydrophobicContact CG-CE1 4.42Å; P231-Y315 CarbonylContact C-O 3.49Å; P231-Y315 WeakPolarHBondContact CA-O 3.46Å; I232-Y315 WeakPolarHBondContact CG1-O 3.45Å; I232-Y315 PolarHBondContact N-O 3.49Å; F282-Y315 HydrophobicContact CE1-CD2 4.24Å; F282-Y315 HydrophobicContact CE1-CG 4.33Å; F282-Y315 HydrophobicContact CZ-CD2 4.22Å; F282-Y315 AromaticContact CZ-CG 3.97Å; F282-Y315 HydrophobicContact CZ-CG 3.97Å; I286-Y315 HydrophobicContact CD1-CD1 4.49Å; I286-Y315 HydrophobicContact CD1-CD2 4.49Å; I286-Y315 HydrophobicContact CD1-CE1 4.4Å; I286-Y315 HydrophobicContact CD1-CE2 4.43Å; I286-Y315 HydrophobicContact CG1-CD2 4.05Å; I286-Y315 HydrophobicContact CG1-CE2 3.83Å; L291-Y315 HydrophobicContact CD2-CE1 4.04Å; Y299-Y315 HydrophobicContact CD2-CE2 4.34Å; Y299-Y315 WeakPolarHBondContact CD2-OH 3.25Å; L302-Y315 HydrophobicContact CD2-CE2 3.73Å; M311-Y315 HydrophobicContact CB-CD2 4.17Å; M311-Y315 WeakPolarHBondContact O-CD2 3.36Å; M311-Y315 PolarHBondContact O-N 3.32Å; M311-Y315 HydrophobicContact SD-CD2 4.4Å; M311-Y315 HydrophobicContact SD-CE2 3.98Å; Y315-H319 HydrophobicContact CD1-CB 4.27Å; Y315-H319 AromaticContact CD1-CD2 3.36Å; Y315-H319 WeakPolarHBondContact CD1-CD2 3.36Å; Y315-H319 AromaticContact CD1-CE1 3.56Å; Y315-H319 AromaticContact CD1-CG 3.49Å; Y315-H319 VanDerWaalsContact CD1-CG 3.49Å; Y315-H319 AromaticContact CD1-ND1 3.6Å; Y315-H319 AromaticContact CD1-NE2 3.38Å; Y315-H319 WeakPolarHBondContact CD1-NE2 3.44Å; Y315-H319 AromaticContact CE1-CD2 3.64Å; Y315-H319 AromaticContact CE1-NE2 3.49Å; Y315-H319 WeakPolarHBondContact CE1-NE2 3.16Å
316G95.1Very high91.9Very high0 Ų035 Ų350%017%0.173CC..BIsolated β-bridgetrans-99.9-177.2-177.600000115.2I232 I318 H319 L320I232-G316 WeakPolarHBondContact CG1-O 3.32Å; G316-I318 VanDerWaalsContact C-N 3.3Å; G316-I318 PolarHBondContact O-N 3.4Å; G316-H319 PolarHBondContact O-N 2.97Å; G316-L320 PolarHBondContact O-N 3.28Å
317S95.2Very high92.2Very high0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-48.9-39.9-179.959.40000114.9H319 L320 L321 Y362S317-H319 VanDerWaalsContact C-N 3.31Å; S317-H319 PolarHBondContact O-N 2.86Å; S317-L320 WeakPolarHBondContact O-CB 3.42Å; S317-L320 PolarHBondContact O-N 3.38Å; S317-L320 VanDerWaalsContact O-N 3.12Å; S317-L321 PolarHBondContact O-N 2.94Å; S317-Y362 PolarHBondContact OG-O 3.15Å
318I96Very high92.3Very high1 Ų132.2 Ų32.21%0.00515%0.148CC..Hα-helixtrans-63.9-37.7-177.1-168.266.8000112.1W209 L210 D213 Y224 G316 L320 L321 R322 F363 Y368W209-I318 HydrophobicContact CB-CD1 4.4Å; L210-I318 HydrophobicContact CD2-CD1 4.5Å; D213-I318 HydrophobicContact CB-CD1 3.77Å; D213-I318 HydrophobicContact CB-CG1 3.77Å; D213-I318 VanDerWaalsContact CG-CG1 3.4Å; Y224-I318 HydrophobicContact CD2-CG2 3.69Å; Y224-I318 HydrophobicContact CE2-CG2 3.72Å; Y224-I318 HydrophobicContact CG-CG2 4.21Å; G316-I318 VanDerWaalsContact C-N 3.3Å; G316-I318 PolarHBondContact O-N 3.4Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.23Å; I318-L321 HydrophobicContact CD1-CD2 4.37Å; I318-L321 WeakPolarHBondContact O-CB 3.38Å; I318-L321 PolarHBondContact O-N 2.9Å; I318-R322 WeakPolarHBondContact O-CG 3.33Å; I318-R322 PolarHBondContact O-N 2.88Å; I318-F363 HydrophobicContact CB-CE1 4.48Å; I318-F363 HydrophobicContact CD1-CD1 4.1Å; I318-F363 HydrophobicContact CD1-CE1 4.09Å; I318-Y368 WeakPolarHBondContact CG1-OH 3.45Å
319H96.9Very high91.9Very high0 Ų030.5 Ų30.50%014%0.138CC..Hα-helixtrans-69.5-34.4177.3-58.582.7000111.1Y224 F282 I286 E295 Y315 G316 S317 R322 L323Y224-H319 AromaticContact CD1-CE1 3.66Å; Y224-H319 AromaticContact CG-CE1 3.72Å; F282-H319 HydrophobicContact CE2-CB 3.77Å; F282-H319 HydrophobicContact CZ-CB 3.89Å; I286-H319 HydrophobicContact CD1-CB 4.42Å; E295-H319 IonicContact OE1-NE2 2.89Å; Y315-H319 HydrophobicContact CD1-CB 4.27Å; Y315-H319 AromaticContact CD1-CD2 3.36Å; Y315-H319 WeakPolarHBondContact CD1-CD2 3.36Å; Y315-H319 AromaticContact CD1-CE1 3.56Å; Y315-H319 AromaticContact CD1-CG 3.49Å; Y315-H319 VanDerWaalsContact CD1-CG 3.49Å; Y315-H319 AromaticContact CD1-ND1 3.6Å; Y315-H319 AromaticContact CD1-NE2 3.38Å; Y315-H319 WeakPolarHBondContact CD1-NE2 3.44Å; Y315-H319 AromaticContact CE1-CD2 3.64Å; Y315-H319 AromaticContact CE1-NE2 3.49Å; Y315-H319 WeakPolarHBondContact CE1-NE2 3.16Å; G316-H319 PolarHBondContact O-N 2.97Å; S317-H319 VanDerWaalsContact C-N 3.31Å; S317-H319 PolarHBondContact O-N 2.86Å; H319-R322 PolarHBondContact O-N 3.13Å; H319-L323 PolarHBondContact O-N 3.01Å; H319-L323 VanDerWaalsContact O-N 3.13Å
320L95.6Very high91.3Very high0 Ų027.8 Ų27.80%013%0.128CC..Hα-helixtrans-67.9-37.8172.6-169.467.8000111.7I232 L235 L236 I278 F282 G316 S317 I318 R322 L323 F324 F351I232-L320 HydrophobicContact CD1-CB 3.95Å; I232-L320 HydrophobicContact CD1-CD1 4.41Å; I232-L320 HydrophobicContact CG1-CB 3.96Å; I232-L320 HydrophobicContact CG2-CD1 4.05Å; I232-L320 HydrophobicContact CG2-CD2 4.18Å; L235-L320 HydrophobicContact CD2-CD2 3.61Å; L235-L320 HydrophobicContact CG-CD2 4.49Å; L236-L320 HydrophobicContact CD2-CD2 4.35Å; I278-L320 HydrophobicContact CG2-CD1 3.67Å; F282-L320 HydrophobicContact CD2-CD1 4.39Å; G316-L320 PolarHBondContact O-N 3.28Å; S317-L320 WeakPolarHBondContact O-CB 3.42Å; S317-L320 PolarHBondContact O-N 3.38Å; S317-L320 VanDerWaalsContact O-N 3.12Å; I318-L320 VanDerWaalsContact C-N 3.32Å; I318-L320 PolarHBondContact O-N 3.23Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 3.49Å; L320-L323 HydrophobicContact CD1-CD2 3.97Å; L320-L323 WeakPolarHBondContact O-CA 3.38Å; L320-L323 VanDerWaalsContact O-CB 3.27Å; L320-L323 WeakPolarHBondContact O-CB 3.47Å; L320-L323 PolarHBondContact O-N 2.92Å; L320-L323 VanDerWaalsContact O-N 3.09Å; L320-F324 HydrophobicContact CD1-CE2 4.49Å; L320-F324 HydrophobicContact CD2-CE2 4.37Å; L320-F324 HydrophobicContact CG-CE2 3.95Å; L320-F324 VanDerWaalsContact O-CD2 3.24Å; L320-F324 WeakPolarHBondContact O-CD2 3.4Å; L320-F324 PolarHBondContact O-N 3.42Å; L320-F351 HydrophobicContact CD2-CE1 3.65Å; L320-F351 HydrophobicContact CD2-CZ 3.58Å; L320-F351 HydrophobicContact CG-CE1 4.48Å
321L95.1Very high90.6Very high0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-64.4-39.9175-173.459.2000111.6L206 L210 S317 I318 L323 F324 V325 L352 F363L206-L321 HydrophobicContact CB-CD1 4.23Å; L206-L321 HydrophobicContact CB-CD2 4.04Å; L206-L321 HydrophobicContact CD1-CD1 4.23Å; L206-L321 WeakPolarHBondContact O-CD2 3.43Å; L210-L321 HydrophobicContact CD1-CD2 4.22Å; L210-L321 HydrophobicContact CD1-CG 4Å; L210-L321 HydrophobicContact CD2-CB 4.39Å; L210-L321 HydrophobicContact CD2-CD2 4.14Å; L210-L321 HydrophobicContact CD2-CG 3.93Å; L210-L321 HydrophobicContact CG-CD2 3.77Å; L210-L321 HydrophobicContact CG-CG 3.9Å; S317-L321 PolarHBondContact O-N 2.94Å; I318-L321 HydrophobicContact CD1-CD2 4.37Å; I318-L321 WeakPolarHBondContact O-CB 3.38Å; I318-L321 PolarHBondContact O-N 2.9Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.44Å; L321-F324 PolarHBondContact O-N 3.39Å; L321-F324 VanDerWaalsContact O-N 3.16Å; L321-V325 PolarHBondContact O-N 2.99Å; L321-L352 HydrophobicContact CD1-CD2 3.97Å; L321-F363 HydrophobicContact CB-CE1 4.25Å; L321-F363 HydrophobicContact CB-CZ 4.4Å; L321-F363 HydrophobicContact CD2-CE1 3.77Å; L321-F363 HydrophobicContact CD2-CZ 3.91Å
322R95Very high89.6Confident11 Ų1122.7 Ų22.74%0.04211%0.112CC..Hα-helixtrans-58.9-37.4170.6-65-178.5-160.8161.810.4111.9L210 D213 L290 Y292 E295 I318 H319 L320 F324 V325 K326L210-R322 HydrophobicContact CD2-CG 3.88Å; D213-R322 IonicContact OD1-CZ 3.54Å; D213-R322 IonicContact OD1-NE 3.47Å; D213-R322 IonicContact OD1-NH2 3.55Å; D213-R322 PolarHBondContact OD1-NH2 2.9Å; D213-R322 IonicContact OD2-CZ 4Å; D213-R322 IonicContact OD2-NE 3.64Å; D213-R322 PolarHBondContact OD2-NE 3.07Å; D213-R322 IonicContact OD2-NH2 3.36Å; D213-R322 PolarHBondContact OD2-NH2 3.16Å; L290-R322 HydrophobicContact CD2-CB 4.37Å; L290-R322 WeakPolarHBondContact O-CD 3.36Å; L290-R322 PolarHBondContact O-NH1 3.29Å; L290-R322 VanDerWaalsContact O-NH1 3.17Å; Y292-R322 VanDerWaalsContact CE2-CZ 3.42Å; E295-R322 VanDerWaalsContact CD-NH1 3.27Å; E295-R322 IonicContact OE1-CZ 2.86Å; E295-R322 IonicContact OE1-NH1 3.45Å; E295-R322 PolarHBondContact OE1-NH1 3.45Å; E295-R322 IonicContact OE1-NH2 3.92Å; E295-R322 PolarHBondContact OE1-NH2 2.94Å; E295-R322 IonicContact OE2-CZ 2.63Å; E295-R322 IonicContact OE2-NH1 3.78Å; E295-R322 PolarHBondContact OE2-NH1 3.46Å; E295-R322 IonicContact OE2-NH2 2.69Å; I318-R322 WeakPolarHBondContact O-CG 3.33Å; I318-R322 PolarHBondContact O-N 2.88Å; H319-R322 PolarHBondContact O-N 3.13Å; L320-R322 VanDerWaalsContact C-N 3.35Å; L320-R322 PolarHBondContact O-N 3.49Å; R322-F324 PolarHBondContact O-N 2.99Å; R322-V325 PolarHBondContact O-N 2.64Å; R322-K326 PolarHBondContact O-N 3.48Å; R322-K326 VanDerWaalsContact O-N 3.12Å
323L94.4Very high88.4Confident0 Ų030.2 Ų30.20%015%0.145CC..Hα-helixtrans-58.8-45.2174.4163.461.2000111.5I278 Y281 F282 I285 L290 H319 L320 L321 V325 K326 L327I278-L323 HydrophobicContact CG2-CD2 3.98Å; Y281-L323 HydrophobicContact CD1-CD1 3.34Å; Y281-L323 HydrophobicContact CD1-CD2 4.31Å; Y281-L323 HydrophobicContact CD1-CG 4.46Å; Y281-L323 HydrophobicContact CE1-CD1 3.49Å; Y281-L323 VanDerWaalsContact CE1-CD1 3.49Å; F282-L323 HydrophobicContact CB-CD2 3.96Å; F282-L323 HydrophobicContact CD2-CB 4.45Å; F282-L323 HydrophobicContact CD2-CD2 4.25Å; I285-L323 HydrophobicContact CD1-CD1 3.35Å; I285-L323 HydrophobicContact CG1-CD1 4.23Å; L290-L323 HydrophobicContact CD1-CB 3.9Å; L290-L323 HydrophobicContact CD2-CB 4.17Å; H319-L323 PolarHBondContact O-N 3.01Å; H319-L323 VanDerWaalsContact O-N 3.13Å; L320-L323 HydrophobicContact CD1-CD2 3.97Å; L320-L323 WeakPolarHBondContact O-CA 3.38Å; L320-L323 VanDerWaalsContact O-CB 3.27Å; L320-L323 WeakPolarHBondContact O-CB 3.47Å; L320-L323 PolarHBondContact O-N 2.92Å; L320-L323 VanDerWaalsContact O-N 3.09Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.44Å; L323-V325 VanDerWaalsContact C-N 3.27Å; L323-V325 PolarHBondContact O-N 3.13Å; L323-K326 CarbonylContact O-C 3.39Å; L323-K326 PolarHBondContact O-N 2.83Å; L323-L327 HydrophobicContact CD1-CB 4.49Å; L323-L327 WeakPolarHBondContact O-CB 3.2Å; L323-L327 PolarHBondContact O-N 3.44Å
324F92.2Very high87.3Confident1 Ų130.9 Ų30.90%0.00415%0.151CC..Hα-helixtrans-63.6-31.8179.1-74.2-71.6000113.5F274 I278 L320 L321 R322 L327 V348 F351 L352F274-F324 HydrophobicContact CZ-CE1 4.15Å; F274-F324 HydrophobicContact CZ-CZ 4.4Å; I278-F324 HydrophobicContact CD1-CE1 4Å; I278-F324 HydrophobicContact CD1-CZ 4.23Å; I278-F324 HydrophobicContact CG2-CZ 4.48Å; L320-F324 HydrophobicContact CD1-CE2 4.49Å; L320-F324 HydrophobicContact CD2-CE2 4.37Å; L320-F324 HydrophobicContact CG-CE2 3.95Å; L320-F324 VanDerWaalsContact O-CD2 3.24Å; L320-F324 WeakPolarHBondContact O-CD2 3.4Å; L320-F324 PolarHBondContact O-N 3.42Å; L321-F324 PolarHBondContact O-N 3.39Å; L321-F324 VanDerWaalsContact O-N 3.16Å; R322-F324 PolarHBondContact O-N 2.99Å; F324-L327 HydrophobicContact CD1-CD2 4.3Å; F324-V348 HydrophobicContact CD1-CG1 3.6Å; F324-V348 HydrophobicContact CD1-CG2 4.36Å; F324-V348 HydrophobicContact CE1-CB 4.4Å; F324-V348 HydrophobicContact CE1-CG1 3.82Å; F324-V348 HydrophobicContact CE1-CG2 4.05Å; F324-F351 HydrophobicContact CE1-CD1 4.49Å; F324-F351 AromaticContact CE2-CD1 3.44Å; F324-F351 HydrophobicContact CE2-CD1 3.44Å; F324-F351 VanDerWaalsContact CE2-CD1 3.44Å; F324-F351 AromaticContact CE2-CE1 3.49Å; F324-F351 HydrophobicContact CE2-CE1 3.49Å; F324-F351 VanDerWaalsContact CE2-CE1 3.49Å; F324-F351 AromaticContact CZ-CD1 3.42Å; F324-F351 HydrophobicContact CZ-CD1 3.42Å; F324-F351 VanDerWaalsContact CZ-CD1 3.42Å; F324-F351 AromaticContact CZ-CE1 3.83Å; F324-F351 HydrophobicContact CZ-CE1 3.83Å; F324-F351 HydrophobicContact CZ-CG 4.22Å; F324-L352 HydrophobicContact CB-CD2 4.47Å; F324-L352 HydrophobicContact CD2-CD2 4.27Å; F324-L352 HydrophobicContact CG-CD2 4.31Å
325V89Confident86.2Confident50 Ų5041.3 Ų41.330%0.30320%0.196SC..Hα-helixtrans-64.4-45.8171.3-178.80000110.6I202 L210 L321 R322 L323I202-V325 HydrophobicContact CD1-CG2 3.68Å; L210-V325 HydrophobicContact CD1-CG2 3.42Å; L210-V325 VanDerWaalsContact CD1-CG2 3.42Å; L210-V325 HydrophobicContact CD2-CG2 4.44Å; L321-V325 PolarHBondContact O-N 2.99Å; R322-V325 PolarHBondContact O-N 2.64Å; L323-V325 VanDerWaalsContact C-N 3.27Å; L323-V325 PolarHBondContact O-N 3.13Å
326K87.3Confident85Confident82 Ų8243 Ų4336%0.35721%0.207SC..Hα-helixtrans-72.7-31.2-179.5-68.7-58.9-174.2-175.60113.8L290 R322 L323 R328 D329 M330L290-K326 HydrophobicContact CD2-CB 4.15Å; L290-K326 HydrophobicContact CD2-CG 3.81Å; R322-K326 PolarHBondContact O-N 3.48Å; R322-K326 VanDerWaalsContact O-N 3.12Å; L323-K326 CarbonylContact O-C 3.39Å; L323-K326 PolarHBondContact O-N 2.83Å; K326-R328 PolarHBondContact O-N 2.84Å; K326-D329 PolarHBondContact O-N 2.83Å; K326-D329 VanDerWaalsContact O-N 3.09Å; K326-M330 WeakPolarHBondContact O-CG 3.15Å; K326-M330 PolarHBondContact O-N 2.94Å
327L85.7Confident84.1Confident17 Ų1747.5 Ų47.59%0.08923%0.231CC..Hα-helixtrans-59.2-37.4179-174.264.8000110.8L198 I278 Y281 L323 F324 D329 M330 V331 V348L198-L327 HydrophobicContact CD2-CD2 4.16Å; L198-L327 HydrophobicContact CD2-CG 4.13Å; I278-L327 HydrophobicContact CD1-CD2 4.1Å; Y281-L327 HydrophobicContact CD1-CD1 4.31Å; Y281-L327 HydrophobicContact CE1-CD1 3.84Å; L323-L327 HydrophobicContact CD1-CB 4.49Å; L323-L327 WeakPolarHBondContact O-CB 3.2Å; L323-L327 PolarHBondContact O-N 3.44Å; F324-L327 HydrophobicContact CD1-CD2 4.3Å; L327-D329 PolarHBondContact O-N 3.43Å; L327-M330 PolarHBondContact O-N 2.87Å; L327-V331 HydrophobicContact CD1-CG2 3.95Å; L327-V331 HydrophobicContact CG-CG2 4.1Å; L327-V331 WeakPolarHBondContact O-CB 3.26Å; L327-V331 VanDerWaalsContact O-CG2 3.28Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.22Å; L327-V348 HydrophobicContact CD2-CG2 4.44Å
328R80.6Confident83.2Confident96 Ų9652.4 Ų52.436%0.36226%0.26SS..Hα-helixtrans-58.6-45.8174.7-62.3174.470.7-170.90.1112.2V200 K326V200-R328 HydrophobicContact CB-CG 3.97Å; V200-R328 HydrophobicContact CG2-CG 4Å; V200-R328 VanDerWaalsContact O-CZ 3.32Å; V200-R328 PolarHBondContact O-NE 3.44Å; K326-R328 PolarHBondContact O-N 2.84Å
329D77.3Confident82.4Confident89 Ų8958.3 Ų58.348%0.47629%0.292SS..Hα-helixtrans-67.8-43178.4-64.9-29.1000110.6K326 L327 S332 F333K326-D329 PolarHBondContact O-N 2.83Å; K326-D329 VanDerWaalsContact O-N 3.09Å; L327-D329 PolarHBondContact O-N 3.43Å; D329-S332 WeakPolarHBondContact O-CB 3.47Å; D329-S332 PolarHBondContact O-N 2.99Å; D329-S332 PolarHBondContact O-OG 3.37Å; D329-F333 WeakPolarHBondContact O-CD2 3.49Å; D329-F333 VanDerWaalsContact O-CE2 3.24Å; D329-F333 WeakPolarHBondContact O-CE2 3.46Å
330M75.9Confident81.7Confident46 Ų4660.5 Ų60.523%0.22731%0.307CS..Hα-helixtrans-74.6-38.2-172.7-69.2-175.476.300113.7Y281 I285 K326 L327 S332 F333 T334Y281-M330 HydrophobicContact CE1-SD 4.37Å; Y281-M330 HydrophobicContact CE2-CE 4.4Å; Y281-M330 VanDerWaalsContact OH-CB 3.3Å; Y281-M330 WeakPolarHBondContact OH-CB 3.36Å; Y281-M330 WeakPolarHBondContact OH-CE 3.29Å; Y281-M330 PolarHBondContact OH-SD 3.48Å; I285-M330 HydrophobicContact CD1-SD 4.35Å; I285-M330 HydrophobicContact CG2-CE 4.3Å; K326-M330 WeakPolarHBondContact O-CG 3.15Å; K326-M330 PolarHBondContact O-N 2.94Å; L327-M330 PolarHBondContact O-N 2.87Å; M330-S332 PolarHBondContact O-N 2.89Å; M330-S332 VanDerWaalsContact O-N 3.16Å; M330-F333 PolarHBondContact O-N 3.19Å; M330-T334 PolarHBondContact O-N 3.43Å
331V77.1Confident81.1Confident8 Ų861.1 Ų61.15%0.04831%0.311CS..Hα-helixtrans-56.9-33176.2165.60000111.2L198 L327 F333 T334 V336 L341L198-V331 HydrophobicContact CB-CB 4.12Å; L198-V331 HydrophobicContact CB-CG1 3.95Å; L198-V331 HydrophobicContact CB-CG2 4.45Å; L198-V331 HydrophobicContact CD2-CG2 4.26Å; L327-V331 HydrophobicContact CD1-CG2 3.95Å; L327-V331 HydrophobicContact CG-CG2 4.1Å; L327-V331 WeakPolarHBondContact O-CB 3.26Å; L327-V331 VanDerWaalsContact O-CG2 3.28Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.22Å; V331-F333 PolarHBondContact O-N 3.25Å; V331-T334 WeakPolarHBondContact CA-OG1 3.26Å; V331-T334 PolarHBondContact O-N 3.3Å; V331-T334 VanDerWaalsContact O-N 3.16Å; V331-T334 PolarHBondContact O-OG1 3.41Å; V331-V336 HydrophobicContact CG1-CG2 3.96Å; V331-L341 HydrophobicContact CG1-CD2 3.9Å
332S71.8Confident80.6Confident21 Ų2164.8 Ų64.815%0.14733%0.334CS..Hα-helixtrans-58-39.4175.283.90000111.7K195 P196 D329 M330 T334K195-S332 VanDerWaalsContact CE-CB 3.48Å; K195-S332 WeakPolarHBondContact CE-O 3.3Å; K195-S332 VanDerWaalsContact CE-OG 3.23Å; K195-S332 WeakPolarHBondContact CE-OG 3.46Å; K195-S332 WeakPolarHBondContact CG-O 2.94Å; K195-S332 PolarHBondContact NZ-OG 2.75Å; K195-S332 VanDerWaalsContact NZ-OG 3.13Å; P196-S332 WeakPolarHBondContact O-CA 3.44Å; D329-S332 WeakPolarHBondContact O-CB 3.47Å; D329-S332 PolarHBondContact O-N 2.99Å; D329-S332 PolarHBondContact O-OG 3.37Å; M330-S332 PolarHBondContact O-N 2.89Å; M330-S332 VanDerWaalsContact O-N 3.16Å; S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 3.02Å
333F69.1Low80.2Confident158 Ų15868 Ų6869%0.69335%0.352SS*.Hα-helixtrans-83.8-4.1-176.2-60.1-83000113.4D329 M330 V331D329-F333 WeakPolarHBondContact O-CD2 3.49Å; D329-F333 VanDerWaalsContact O-CE2 3.24Å; D329-F333 WeakPolarHBondContact O-CE2 3.46Å; M330-F333 PolarHBondContact O-N 3.19Å; V331-F333 PolarHBondContact O-N 3.25Å
334T71.5Confident79.8Confident67 Ų6770 Ų7041%0.41136%0.362SS..SBendtrans-104.7142.5-178.752.10000111M330 V331 S332 V336M330-T334 PolarHBondContact O-N 3.43Å; V331-T334 WeakPolarHBondContact CA-OG1 3.26Å; V331-T334 PolarHBondContact O-N 3.3Å; V331-T334 VanDerWaalsContact O-N 3.16Å; V331-T334 PolarHBondContact O-OG1 3.41Å; S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 3.02Å; T334-V336 VanDerWaalsContact C-N 3.33Å; T334-V336 PolarHBondContact O-N 3.18Å; T334-V336 WeakPolarHBondContact OG1-CG2 3.46Å
335K71.6Confident79.6Confident220 Ų22072 Ų7296%0.95737%0.371SS*.  trans-72.591.7169-66.8-175.8179.5-176.80108.2
336V72.3Confident79.6Confident37 Ų3770.8 Ų70.822%0.22437%0.367CS..  trans-98142.3174.7-172.20000109.2V331 T334 V338 L341V331-V336 HydrophobicContact CG1-CG2 3.96Å; T334-V336 VanDerWaalsContact C-N 3.33Å; T334-V336 PolarHBondContact O-N 3.18Å; T334-V336 WeakPolarHBondContact OG1-CG2 3.46Å; V336-V338 PolarHBondContact O-N 3.06Å; V336-L341 HydrophobicContact CB-CD2 3.96Å; V336-L341 HydrophobicContact CB-CG 4.37Å; V336-L341 HydrophobicContact CG1-CD2 3.49Å; V336-L341 VanDerWaalsContact CG1-CD2 3.49Å; V336-L341 HydrophobicContact CG1-CG 3.84Å
337D77.1Confident79.7Confident93 Ų9367.3 Ų67.350%0.49735%0.352SS..  trans-66.9124.9172.3177.116.1000109.8N339 S340 L341D337-N339 PolarHBondContact O-N 3.39Å; D337-N339 PolarHBondContact OD1-N 3.03Å; D337-N339 VanDerWaalsContact OD1-N 3.14Å; D337-N339 PolarHBondContact OD1-ND2 3.15Å; D337-S340 PolarHBondContact O-N 3.49Å; D337-S340 PolarHBondContact O-OG 3.02Å; D337-L341 PolarHBondContact O-N 3.35Å
338V75.3Confident80Confident103 Ų10366.5 Ų66.562%0.62435%0.348SS*.THydrogen-bonded Turntrans-58.4-32.4-178.2-176.80000111.3V336 S340 P342V336-V338 PolarHBondContact O-N 3.06Å; V338-S340 VanDerWaalsContact C-N 3.34Å; V338-P342 VanDerWaalsContact O-CD 3.26Å; V338-P342 WeakPolarHBondContact O-CD 3.28Å
339N80.3Confident80.5Confident126 Ų12664.9 Ų64.967%0.67435%0.346SS*.THydrogen-bonded Turntrans-72.8-27.7178.7-56.6-56.5000113D337D337-N339 PolarHBondContact O-N 3.39Å; D337-N339 PolarHBondContact OD1-N 3.03Å; D337-N339 VanDerWaalsContact OD1-N 3.14Å; D337-N339 PolarHBondContact OD1-ND2 3.15Å
340S82.3Confident81.1Confident46 Ų4662.2 Ų62.232%0.32233%0.331SS..THydrogen-bonded Turntrans-81.5-21.7179.272.40000113.1D337 V338 I343 L344D337-S340 PolarHBondContact O-N 3.49Å; D337-S340 PolarHBondContact O-OG 3.02Å; V338-S340 VanDerWaalsContact C-N 3.34Å; S340-I343 PolarHBondContact O-N 3.36Å; S340-L344 PolarHBondContact O-N 3.01Å
341L82.3Confident81.9Confident13 Ų1360 Ų607%0.06832%0.32CS..Hα-helixtrans-60.8-48.2-176.3-73.1170.4000113.3P196 L198 V331 V336 D337 I343 L344 E345P196-L341 HydrophobicContact CB-CD1 3.46Å; P196-L341 VanDerWaalsContact CB-CD1 3.46Å; L198-L341 HydrophobicContact CD1-CD2 4.28Å; V331-L341 HydrophobicContact CG1-CD2 3.9Å; V336-L341 HydrophobicContact CB-CD2 3.96Å; V336-L341 HydrophobicContact CB-CG 4.37Å; V336-L341 HydrophobicContact CG1-CD2 3.49Å; V336-L341 VanDerWaalsContact CG1-CD2 3.49Å; V336-L341 HydrophobicContact CG1-CG 3.84Å; D337-L341 PolarHBondContact O-N 3.35Å; L341-I343 PolarHBondContact O-N 3.35Å; L341-L344 WeakPolarHBondContact O-CB 3.41Å; L341-L344 PolarHBondContact O-N 3.45Å; L341-L344 VanDerWaalsContact O-N 3.15Å; L341-E345 WeakPolarHBondContact O-CG 3.24Å; L341-E345 PolarHBondContact O-N 3.37Å
342P83.8Confident82.6Confident76 Ų7659.7 Ų59.749%0.49432%0.318SS..Hα-helixtrans-60.6-34.2178.1-24.835000113.2V338 E345 A346V338-P342 VanDerWaalsContact O-CD 3.26Å; V338-P342 WeakPolarHBondContact O-CD 3.28Å; P342-E345 PolarHBondContact O-N 2.9Å; P342-A346 WeakPolarHBondContact O-CB 3.08Å; P342-A346 PolarHBondContact O-N 3.49Å
343I86.4Confident83.6Confident79 Ų7961.2 Ų61.241%0.40532%0.323SS..Hα-helixtrans-67.6-46.3176.9-57.8174.2000109.6L270 S340 L341 A346 L347L270-I343 HydrophobicContact CD1-CG2 4.29Å; S340-I343 PolarHBondContact O-N 3.36Å; L341-I343 PolarHBondContact O-N 3.35Å; I343-A346 PolarHBondContact O-N 2.84Å; I343-L347 HydrophobicContact CG2-CD1 3.98Å; I343-L347 WeakPolarHBondContact O-CG 3.44Å; I343-L347 PolarHBondContact O-N 2.86Å
344L87.6Confident84.7Confident42 Ų4254.3 Ų54.322%0.2229%0.293CS..Hα-helixtrans-61.4-43.5175.6-178.860.9000111.5L198 F274 S340 L341 A346 L347 V348L198-L344 HydrophobicContact CD1-CB 4.37Å; L198-L344 HydrophobicContact CD1-CD2 3.86Å; L198-L344 HydrophobicContact CD1-CG 3.94Å; F274-L344 HydrophobicContact CD2-CD1 3.69Å; F274-L344 HydrophobicContact CE2-CD1 3.63Å; S340-L344 PolarHBondContact O-N 3.01Å; L341-L344 WeakPolarHBondContact O-CB 3.41Å; L341-L344 PolarHBondContact O-N 3.45Å; L341-L344 VanDerWaalsContact O-N 3.15Å; L344-A346 PolarHBondContact O-N 2.98Å; L344-L347 PolarHBondContact O-N 3.16Å; L344-V348 HydrophobicContact CD1-CG2 4.2Å; L344-V348 HydrophobicContact CG-CG2 4.41Å; L344-V348 WeakPolarHBondContact O-CB 3.36Å; L344-V348 WeakPolarHBondContact O-CG2 3.39Å; L344-V348 PolarHBondContact O-N 3.47Å
345E87.4Confident85.8Confident42 Ų4251.1 Ų51.120%0.19627%0.273CS..Hα-helixtrans-60.3-44.5175.7-72.6179.5174.500111.8L198 L199 L341 P342 V348 N349L198-E345 HydrophobicContact CD1-CG 3.43Å; L198-E345 VanDerWaalsContact CD1-CG 3.43Å; L198-E345 HydrophobicContact CG-CG 4.08Å; L199-E345 PolarHBondContact N-OE1 3.41Å; L341-E345 WeakPolarHBondContact O-CG 3.24Å; L341-E345 PolarHBondContact O-N 3.37Å; P342-E345 PolarHBondContact O-N 2.9Å; E345-V348 PolarHBondContact O-N 2.88Å; E345-N349 WeakPolarHBondContact O-CB 3.39Å; E345-N349 PolarHBondContact O-N 3.31Å; E345-N349 PolarHBondContact O-ND2 3.03Å
346A88.5Confident86.8Confident26 Ų2646.7 Ų46.722%0.21525%0.25CS..Hα-helixtrans-62.1-45.3177.600000111.8I266 P342 I343 L344 N349 E350I266-A346 HydrophobicContact CD1-CB 3.89Å; P342-A346 WeakPolarHBondContact O-CB 3.08Å; P342-A346 PolarHBondContact O-N 3.49Å; I343-A346 PolarHBondContact O-N 2.84Å; L344-A346 PolarHBondContact O-N 2.98Å; A346-N349 PolarHBondContact O-N 2.91Å; A346-E350 WeakPolarHBondContact O-CB 3.35Å; A346-E350 PolarHBondContact O-N 3.49Å
347L90.5Very high87.8Confident8 Ų850.5 Ų50.54%0.04227%0.266CS..Hα-helixtrans-63.7-41.7177-75.5163.8000112.6I266 R271 F274 I343 L344 E350 F351I266-L347 HydrophobicContact CD1-CD2 4.32Å; I266-L347 HydrophobicContact CD1-CG 4.37Å; I266-L347 HydrophobicContact CG2-CD2 3.52Å; I266-L347 HydrophobicContact CG2-CG 4.24Å; R271-L347 HydrophobicContact CB-CD2 4.49Å; R271-L347 HydrophobicContact CG-CD2 3.81Å; F274-L347 HydrophobicContact CB-CD1 3.9Å; F274-L347 HydrophobicContact CD1-CB 4.05Å; F274-L347 HydrophobicContact CD1-CD2 4.46Å; F274-L347 HydrophobicContact CD2-CB 4.12Å; F274-L347 HydrophobicContact CD2-CD1 4.39Å; F274-L347 HydrophobicContact CE1-CB 4.18Å; F274-L347 HydrophobicContact CE2-CB 4.25Å; F274-L347 HydrophobicContact CG-CB 4.02Å; F274-L347 HydrophobicContact CG-CD1 4.11Å; F274-L347 HydrophobicContact CG-CG 4.48Å; F274-L347 HydrophobicContact CZ-CB 4.27Å; I343-L347 HydrophobicContact CG2-CD1 3.98Å; I343-L347 WeakPolarHBondContact O-CG 3.44Å; I343-L347 PolarHBondContact O-N 2.86Å; L344-L347 PolarHBondContact O-N 3.16Å; L347-E350 PolarHBondContact O-N 3.28Å; L347-F351 WeakPolarHBondContact O-CB 3.46Å; L347-F351 PolarHBondContact O-N 2.92Å
348V91.8Very high88.6Confident0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-64.2-43.6175.7174.20000110.5V200 F274 F324 L327 L344 E345 F351 L352V200-V348 HydrophobicContact CB-CG1 4.24Å; V200-V348 HydrophobicContact CG1-CG1 3.45Å; V200-V348 VanDerWaalsContact CG1-CG1 3.45Å; V200-V348 HydrophobicContact CG2-CB 4.32Å; V200-V348 HydrophobicContact CG2-CG1 3.72Å; F274-V348 HydrophobicContact CE2-CG2 3.77Å; F274-V348 HydrophobicContact CZ-CG2 3.83Å; F324-V348 HydrophobicContact CD1-CG1 3.6Å; F324-V348 HydrophobicContact CD1-CG2 4.36Å; F324-V348 HydrophobicContact CE1-CB 4.4Å; F324-V348 HydrophobicContact CE1-CG1 3.82Å; F324-V348 HydrophobicContact CE1-CG2 4.05Å; L327-V348 HydrophobicContact CD2-CG2 4.44Å; L344-V348 HydrophobicContact CD1-CG2 4.2Å; L344-V348 HydrophobicContact CG-CG2 4.41Å; L344-V348 WeakPolarHBondContact O-CB 3.36Å; L344-V348 WeakPolarHBondContact O-CG2 3.39Å; L344-V348 PolarHBondContact O-N 3.47Å; E345-V348 PolarHBondContact O-N 2.88Å; V348-F351 PolarHBondContact O-N 2.72Å; V348-L352 HydrophobicContact CG1-CD1 3.92Å; V348-L352 HydrophobicContact CG1-CG 4.3Å; V348-L352 WeakPolarHBondContact O-CB 3.23Å; V348-L352 VanDerWaalsContact O-CG 3.26Å; V348-L352 WeakPolarHBondContact O-CG 3.41Å; V348-L352 PolarHBondContact O-N 3.2Å
349N90.1Very high89.4Confident62 Ų6245.6 Ų45.633%0.33223%0.234SC..Hα-helixtrans-66.7-39178.6-71.4-36.4000112E345 A346 L352 Q353E345-N349 WeakPolarHBondContact O-CB 3.39Å; E345-N349 PolarHBondContact O-N 3.31Å; E345-N349 PolarHBondContact O-ND2 3.03Å; A346-N349 PolarHBondContact O-N 2.91Å; N349-L352 PolarHBondContact O-N 3.37Å; N349-Q353 WeakPolarHBondContact O-CB 3.38Å; N349-Q353 PolarHBondContact O-N 2.9Å
350E90.5Very high89.8Confident34 Ų3442.8 Ų42.816%0.15924%0.236CC..Hα-helixtrans-58.9-48.2173-171.5-178.9-160.800110.6F239 R271 A346 L347 L352 Q353 F354F239-E350 HydrophobicContact CE2-CG 4.29Å; F239-E350 HydrophobicContact CZ-CG 4.05Å; R271-E350 IonicContact CZ-OE1 3.29Å; R271-E350 IonicContact NE-OE1 3.54Å; R271-E350 PolarHBondContact NE-OE1 3.25Å; R271-E350 IonicContact NE-OE2 3.69Å; R271-E350 PolarHBondContact NE-OE2 2.98Å; R271-E350 IonicContact NH2-OE1 3.03Å; R271-E350 PolarHBondContact NH2-OE1 3.35Å; A346-E350 WeakPolarHBondContact O-CB 3.35Å; A346-E350 PolarHBondContact O-N 3.49Å; L347-E350 PolarHBondContact O-N 3.28Å; E350-L352 PolarHBondContact O-N 2.81Å; E350-Q353 WeakPolarHBondContact O-CB 3.33Å; E350-Q353 PolarHBondContact O-N 2.8Å; E350-F354 PolarHBondContact O-N 2.86Å
351F92.5Very high90.3Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-64.5-41.4178.1-171.4-96.9000113.1L235 L236 F239 F274 L275 L320 F324 L347 V348 Q353 F354 L355L235-F351 HydrophobicContact CD2-CZ 4.35Å; L235-F351 HydrophobicContact CG-CZ 4.26Å; L236-F351 HydrophobicContact CD2-CE2 4.1Å; L236-F351 HydrophobicContact CD2-CZ 4.15Å; F239-F351 HydrophobicContact CB-CD2 4.23Å; F239-F351 HydrophobicContact CB-CE2 3.92Å; F239-F351 AromaticContact CD1-CD2 3.6Å; F239-F351 HydrophobicContact CD1-CD2 3.6Å; F239-F351 HydrophobicContact CD1-CE2 4.02Å; F239-F351 AromaticContact CD2-CD2 3.94Å; F239-F351 HydrophobicContact CD2-CD2 3.94Å; F239-F351 HydrophobicContact CD2-CE2 4.44Å; F239-F351 AromaticContact CE1-CD2 3.86Å; F239-F351 HydrophobicContact CE1-CD2 3.86Å; F239-F351 HydrophobicContact CE2-CD2 4.17Å; F239-F351 AromaticContact CG-CD2 3.63Å; F239-F351 HydrophobicContact CG-CD2 3.63Å; F239-F351 AromaticContact CG-CE2 3.86Å; F239-F351 HydrophobicContact CG-CE2 3.86Å; F239-F351 HydrophobicContact CZ-CB 4.31Å; F239-F351 HydrophobicContact CZ-CD2 4.13Å; F274-F351 HydrophobicContact CE1-CB 4.25Å; L275-F351 HydrophobicContact CD2-CD2 3.95Å; L275-F351 HydrophobicContact CD2-CE2 4.01Å; L320-F351 HydrophobicContact CD2-CE1 3.65Å; L320-F351 HydrophobicContact CD2-CZ 3.58Å; L320-F351 HydrophobicContact CG-CE1 4.48Å; F324-F351 HydrophobicContact CE1-CD1 4.49Å; F324-F351 AromaticContact CE2-CD1 3.44Å; F324-F351 HydrophobicContact CE2-CD1 3.44Å; F324-F351 VanDerWaalsContact CE2-CD1 3.44Å; F324-F351 AromaticContact CE2-CE1 3.49Å; F324-F351 HydrophobicContact CE2-CE1 3.49Å; F324-F351 VanDerWaalsContact CE2-CE1 3.49Å; F324-F351 AromaticContact CZ-CD1 3.42Å; F324-F351 HydrophobicContact CZ-CD1 3.42Å; F324-F351 VanDerWaalsContact CZ-CD1 3.42Å; F324-F351 AromaticContact CZ-CE1 3.83Å; F324-F351 HydrophobicContact CZ-CE1 3.83Å; F324-F351 HydrophobicContact CZ-CG 4.22Å; L347-F351 WeakPolarHBondContact O-CB 3.46Å; L347-F351 PolarHBondContact O-N 2.92Å; V348-F351 PolarHBondContact O-N 2.72Å; F351-Q353 VanDerWaalsContact C-N 3.28Å; F351-Q353 PolarHBondContact O-N 3.12Å; F351-F354 WeakPolarHBondContact O-CB 3.3Å; F351-F354 PolarHBondContact O-N 3.35Å; F351-L355 HydrophobicContact CD1-CD1 3.99Å; F351-L355 HydrophobicContact CD1-CG 4.22Å; F351-L355 HydrophobicContact CE1-CD1 3.58Å; F351-L355 HydrophobicContact CE1-CD2 4.33Å; F351-L355 HydrophobicContact CE1-CG 3.83Å; F351-L355 HydrophobicContact CZ-CD1 4.48Å; F351-L355 HydrophobicContact CZ-CD2 4.48Å; F351-L355 HydrophobicContact CZ-CG 4.36Å; F351-L355 PolarHBondContact O-N 2.82Å
352L92.8Very high90.9Very high1 Ų146.3 Ų46.31%0.00524%0.241CC..Hα-helixtrans-66.1-33176.3-71.6174.9000112.1V200 I202 L206 L321 F324 V348 N349 E350 L355 R356V200-L352 HydrophobicContact CG1-CD1 3.36Å; I202-L352 HydrophobicContact CG1-CD1 4.11Å; L206-L352 HydrophobicContact CD1-CB 4.45Å; L206-L352 HydrophobicContact CD1-CD2 4.04Å; L321-L352 HydrophobicContact CD1-CD2 3.97Å; F324-L352 HydrophobicContact CB-CD2 4.47Å; F324-L352 HydrophobicContact CD2-CD2 4.27Å; F324-L352 HydrophobicContact CG-CD2 4.31Å; V348-L352 HydrophobicContact CG1-CD1 3.92Å; V348-L352 HydrophobicContact CG1-CG 4.3Å; V348-L352 WeakPolarHBondContact O-CB 3.23Å; V348-L352 VanDerWaalsContact O-CG 3.26Å; V348-L352 WeakPolarHBondContact O-CG 3.41Å; V348-L352 PolarHBondContact O-N 3.2Å; N349-L352 PolarHBondContact O-N 3.37Å; E350-L352 PolarHBondContact O-N 2.81Å; L352-L355 HydrophobicContact CD2-CD1 4.35Å; L352-L355 PolarHBondContact O-N 3.03Å; L352-R356 WeakPolarHBondContact O-CB 3.17Å; L352-R356 PolarHBondContact O-N 3.01Å
353Q91.5Very high91.4Very high52 Ų5243.1 Ų43.124%0.24322%0.22CC..Hα-helixtrans-68.2-40.3174.4-177.561.223.900111.3N349 E350 F351 R356 Q357N349-Q353 WeakPolarHBondContact O-CB 3.38Å; N349-Q353 PolarHBondContact O-N 2.9Å; E350-Q353 WeakPolarHBondContact O-CB 3.33Å; E350-Q353 PolarHBondContact O-N 2.8Å; F351-Q353 VanDerWaalsContact C-N 3.28Å; F351-Q353 PolarHBondContact O-N 3.12Å; Q353-R356 WeakPolarHBondContact O-CB 3.45Å; Q353-R356 PolarHBondContact O-N 3.49Å; Q353-Q357 WeakPolarHBondContact O-CG 3.32Å; Q353-Q357 PolarHBondContact O-N 3.22Å
354F93.7Very high91.7Very high14 Ų1443.4 Ų43.46%0.06122%0.215CC..Hα-helixtrans-60.3-45.2171.8170.4-100000112.2L235 D238 F239 S242 E350 F351 R356 Q357 N358 Y362L235-F354 HydrophobicContact CD1-CE1 3.86Å; D238-F354 HydrophobicContact CB-CZ 4.31Å; F239-F354 HydrophobicContact CB-CD1 3.97Å; F239-F354 HydrophobicContact CB-CE1 3.78Å; F239-F354 HydrophobicContact CB-CG 4.47Å; F239-F354 HydrophobicContact CB-CZ 4.11Å; F239-F354 HydrophobicContact CD2-CB 3.6Å; F239-F354 AromaticContact CD2-CD1 3.7Å; F239-F354 HydrophobicContact CD2-CD1 3.7Å; F239-F354 AromaticContact CD2-CD2 3.91Å; F239-F354 HydrophobicContact CD2-CD2 3.91Å; F239-F354 HydrophobicContact CD2-CE1 4.31Å; F239-F354 HydrophobicContact CD2-CE2 4.49Å; F239-F354 AromaticContact CD2-CG 3.47Å; F239-F354 HydrophobicContact CD2-CG 3.47Å; F239-F354 VanDerWaalsContact CD2-CG 3.47Å; F239-F354 HydrophobicContact CE2-CB 3.81Å; F239-F354 HydrophobicContact CE2-CG 4.2Å; F239-F354 HydrophobicContact CG-CD1 4.23Å; F239-F354 HydrophobicContact CG-CG 4.4Å; S242-F354 WeakPolarHBondContact OG-CD2 3.5Å; S242-F354 WeakPolarHBondContact OG-CE2 3.24Å; E350-F354 PolarHBondContact O-N 2.86Å; F351-F354 WeakPolarHBondContact O-CB 3.3Å; F351-F354 PolarHBondContact O-N 3.35Å; F354-R356 VanDerWaalsContact C-N 3.28Å; F354-R356 PolarHBondContact O-N 3.15Å; F354-Q357 PolarHBondContact O-N 2.8Å; F354-N358 VanDerWaalsContact CD2-ND2 3.34Å; F354-N358 WeakPolarHBondContact CD2-ND2 3.22Å; F354-N358 VanDerWaalsContact CE2-ND2 3.26Å; F354-N358 WeakPolarHBondContact CE2-ND2 3.42Å; F354-N358 PolarHBondContact O-N 2.94Å; F354-N358 PolarHBondContact O-ND2 3.38Å; F354-Y362 AromaticContact CE1-CE2 3.8Å; F354-Y362 HydrophobicContact CE1-CE2 3.8Å; F354-Y362 HydrophobicContact CZ-CE2 4.05Å
355L93.9Very high91.9Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-60.3-38.8175.8-77.8-178.4000112.4L206 L235 F351 L352 N358 E359 Y362 F363L206-L355 HydrophobicContact CD1-CB 3.98Å; L206-L355 HydrophobicContact CD2-CB 4.4Å; L235-L355 HydrophobicContact CD1-CD2 3.77Å; L235-L355 HydrophobicContact CD2-CD2 4.1Å; F351-L355 HydrophobicContact CD1-CD1 3.99Å; F351-L355 HydrophobicContact CD1-CG 4.22Å; F351-L355 HydrophobicContact CE1-CD1 3.58Å; F351-L355 HydrophobicContact CE1-CD2 4.33Å; F351-L355 HydrophobicContact CE1-CG 3.83Å; F351-L355 HydrophobicContact CZ-CD1 4.48Å; F351-L355 HydrophobicContact CZ-CD2 4.48Å; F351-L355 HydrophobicContact CZ-CG 4.36Å; F351-L355 PolarHBondContact O-N 2.82Å; L352-L355 HydrophobicContact CD2-CD1 4.35Å; L352-L355 PolarHBondContact O-N 3.03Å; L355-N358 CarbonylContact O-C 3.57Å; L355-N358 PolarHBondContact O-N 3.48Å; L355-E359 WeakPolarHBondContact O-CA 3.37Å; L355-E359 PolarHBondContact O-N 3.39Å; L355-Y362 HydrophobicContact CD2-CD2 4.24Å; L355-F363 HydrophobicContact CB-CE2 4.39Å; L355-F363 HydrophobicContact CD1-CZ 4.44Å; L355-F363 HydrophobicContact CD2-CE2 4.3Å; L355-F363 HydrophobicContact CD2-CZ 4.38Å
356R93.1Very high92.1Very high127 Ų12750.2 Ų50.248%0.47925%0.248SC..Hα-helixtrans-66.1-41.7176.7179.5-175.4177.6-166.1-2.2112.1L352 Q353 F354 N358 E359L352-R356 WeakPolarHBondContact O-CB 3.17Å; L352-R356 PolarHBondContact O-N 3.01Å; Q353-R356 WeakPolarHBondContact O-CB 3.45Å; Q353-R356 PolarHBondContact O-N 3.49Å; F354-R356 VanDerWaalsContact C-N 3.28Å; F354-R356 PolarHBondContact O-N 3.15Å; R356-N358 VanDerWaalsContact C-N 3.26Å; R356-N358 PolarHBondContact O-N 3.16Å; R356-E359 WeakPolarHBondContact O-CB 3.34Å
357Q93Very high92.4Very high116 Ų11649.5 Ų49.554%0.54224%0.241SC..Hα-helixtrans-66.6-32.5177.8-73.1168.4-500111.9Q353 F354Q353-Q357 WeakPolarHBondContact O-CG 3.32Å; Q353-Q357 PolarHBondContact O-N 3.22Å; F354-Q357 PolarHBondContact O-N 2.8Å
358N93.2Very high92.7Very high49 Ų4949.8 Ų49.826%0.26224%0.241SC..THydrogen-bonded Turntrans-10526.8-178.1-63.9-79.9000112.7F354 L355 R356 G360 R361 Y362F354-N358 VanDerWaalsContact CD2-ND2 3.34Å; F354-N358 WeakPolarHBondContact CD2-ND2 3.22Å; F354-N358 VanDerWaalsContact CE2-ND2 3.26Å; F354-N358 WeakPolarHBondContact CE2-ND2 3.42Å; F354-N358 PolarHBondContact O-N 2.94Å; F354-N358 PolarHBondContact O-ND2 3.38Å; L355-N358 CarbonylContact O-C 3.57Å; L355-N358 PolarHBondContact O-N 3.48Å; R356-N358 VanDerWaalsContact C-N 3.26Å; R356-N358 PolarHBondContact O-N 3.16Å; N358-G360 VanDerWaalsContact C-N 3.33Å; N358-G360 PolarHBondContact O-N 3.26Å; N358-R361 PolarHBondContact O-N 3.35Å; N358-Y362 HydrophobicContact CB-CD2 3.56Å; N358-Y362 HydrophobicContact CB-CE2 3.43Å; N358-Y362 VanDerWaalsContact CB-CE2 3.43Å; N358-Y362 WeakPolarHBondContact O-CD2 2.76Å; N358-Y362 PolarHBondContact O-N 2.85Å
359E91.6Very high92.8Very high44 Ų4452.8 Ų52.821%0.20626%0.26CS..Hα-helixtrans-59.4-43.8-171.3-168.2174.2132.100111.6S205 L206 W209 L355 R356 R361 Y362 F363S205-E359 WeakPolarHBondContact CB-OE2 3.43Å; S205-E359 PolarHBondContact OG-OE2 3.38Å; L206-E359 HydrophobicContact CD2-CG 4.36Å; W209-E359 VanDerWaalsContact CD1-OE1 3.22Å; W209-E359 VanDerWaalsContact NE1-CG 3.26Å; W209-E359 PolarHBondContact NE1-OE1 3.48Å; L355-E359 WeakPolarHBondContact O-CA 3.37Å; L355-E359 PolarHBondContact O-N 3.39Å; R356-E359 WeakPolarHBondContact O-CB 3.34Å; E359-R361 VanDerWaalsContact C-N 3.26Å; E359-R361 PolarHBondContact O-N 3.38Å; E359-Y362 PolarHBondContact O-N 3.02Å; E359-F363 HydrophobicContact CB-CD2 4.43Å; E359-F363 HydrophobicContact CG-CD2 3.86Å; E359-F363 PolarHBondContact O-N 2.99Å
360G90.2Very high93Very high68 Ų6854.5 Ų54.570%0.70127%0.272SS*.Hα-helixtrans-68.6-17.2178.400000115.3N358N358-G360 VanDerWaalsContact C-N 3.33Å; N358-G360 PolarHBondContact O-N 3.26Å
361R92Very high93.2Very high130 Ų13053.2 Ų53.249%0.49127%0.267SS..Hα-helixtrans-84.8-40.2174.7177.6175.2172.6159.7-8.2111.4D238 N358 E359D238-R361 IonicContact OD2-CZ 3.34Å; D238-R361 IonicContact OD2-NE 2.84Å; D238-R361 IonicContact OD2-NH2 2.92Å; D238-R361 PolarHBondContact OD2-NH2 2.91Å; N358-R361 PolarHBondContact O-N 3.35Å; E359-R361 VanDerWaalsContact C-N 3.26Å; E359-R361 PolarHBondContact O-N 3.38Å
362Y93.9Very high93.3Very high3 Ų357.6 Ų57.61%0.01230%0.295CS..Hα-helixtrans-99.6-24.4-170.4-65.5-59.6000114.2Q230 L235 D238 S317 F354 L355 N358 E359Q230-Y362 HydrophobicContact CB-CD1 4.1Å; Q230-Y362 HydrophobicContact CB-CE1 4.38Å; Q230-Y362 HydrophobicContact CG-CD1 4.42Å; L235-Y362 HydrophobicContact CB-CE1 4.1Å; L235-Y362 HydrophobicContact CD1-CD1 3.75Å; L235-Y362 HydrophobicContact CD1-CD2 3.82Å; L235-Y362 HydrophobicContact CD1-CE1 3.43Å; L235-Y362 VanDerWaalsContact CD1-CE1 3.43Å; L235-Y362 HydrophobicContact CD1-CE2 3.49Å; L235-Y362 VanDerWaalsContact CD1-CE2 3.49Å; L235-Y362 HydrophobicContact CD1-CG 3.95Å; L235-Y362 HydrophobicContact CG-CE1 4.32Å; D238-Y362 VanDerWaalsContact CB-OH 3.25Å; D238-Y362 WeakPolarHBondContact CB-OH 3.45Å; D238-Y362 PolarHBondContact OD2-OH 3.38Å; S317-Y362 PolarHBondContact OG-O 3.15Å; F354-Y362 AromaticContact CE1-CE2 3.8Å; F354-Y362 HydrophobicContact CE1-CE2 3.8Å; F354-Y362 HydrophobicContact CZ-CE2 4.05Å; L355-Y362 HydrophobicContact CD2-CD2 4.24Å; N358-Y362 HydrophobicContact CB-CD2 3.56Å; N358-Y362 HydrophobicContact CB-CE2 3.43Å; N358-Y362 VanDerWaalsContact CB-CE2 3.43Å; N358-Y362 WeakPolarHBondContact O-CD2 2.76Å; N358-Y362 PolarHBondContact O-N 2.85Å; E359-Y362 PolarHBondContact O-N 3.02Å
363F95Very high93.2Very high9 Ų961.4 Ų61.44%0.03933%0.326CS..  trans-118.1112.3-178.9-55.8-84.1000109.7L206 W209 I318 L321 L355 E359L206-F363 HydrophobicContact CD2-CD2 4.32Å; L206-F363 HydrophobicContact CD2-CE2 3.69Å; L206-F363 HydrophobicContact CD2-CZ 4.09Å; W209-F363 HydrophobicContact CB-CD1 4.41Å; W209-F363 HydrophobicContact CD2-CB 3.57Å; W209-F363 HydrophobicContact CD2-CD1 4.48Å; W209-F363 HydrophobicContact CD2-CG 4.19Å; W209-F363 VanDerWaalsContact CE2-CB 3.48Å; W209-F363 HydrophobicContact CE3-CB 3.9Å; W209-F363 HydrophobicContact CG-CB 4.06Å; W209-F363 HydrophobicContact CG-CD1 4.29Å; W209-F363 HydrophobicContact CG-CG 4.16Å; W209-F363 HydrophobicContact CH2-CB 4.01Å; W209-F363 WeakPolarHBondContact CH2-O 3.07Å; W209-F363 HydrophobicContact CZ2-CB 3.72Å; W209-F363 WeakPolarHBondContact CZ2-O 3.34Å; W209-F363 HydrophobicContact CZ3-CB 4.09Å; I318-F363 HydrophobicContact CB-CE1 4.48Å; I318-F363 HydrophobicContact CD1-CD1 4.1Å; I318-F363 HydrophobicContact CD1-CE1 4.09Å; L321-F363 HydrophobicContact CB-CE1 4.25Å; L321-F363 HydrophobicContact CB-CZ 4.4Å; L321-F363 HydrophobicContact CD2-CE1 3.77Å; L321-F363 HydrophobicContact CD2-CZ 3.91Å; L355-F363 HydrophobicContact CB-CE2 4.39Å; L355-F363 HydrophobicContact CD1-CZ 4.44Å; L355-F363 HydrophobicContact CD2-CE2 4.3Å; L355-F363 HydrophobicContact CD2-CZ 4.38Å; E359-F363 HydrophobicContact CB-CD2 4.43Å; E359-F363 HydrophobicContact CG-CD2 3.86Å; E359-F363 PolarHBondContact O-N 2.99Å
364R92.5Very high93.3Very high84 Ų8465.4 Ų65.432%0.31735%0.345SS..  trans-134.9134.4-176.4-62.7-176.1-54.8177.47.7109S229 E366 D367S229-R364 PolarHBondContact OG-NH2 3.31Å; S229-R364 VanDerWaalsContact OG-NH2 3.08Å; R364-E366 WeakPolarHBondContact CB-OE2 3.16Å; R364-D367 IonicContact CZ-OD1 3.2Å; R364-D367 IonicContact CZ-OD2 3.48Å; R364-D367 IonicContact NE-OD1 3.84Å; R364-D367 PolarHBondContact NE-OD1 2.99Å; R364-D367 IonicContact NE-OD2 3.9Å; R364-D367 PolarHBondContact NE-OD2 3.03Å; R364-D367 IonicContact NH2-OD1 3.43Å; R364-D367 PolarHBondContact NH2-OD1 2.7Å; R364-D367 IonicContact NH2-OD2 3.4Å; R364-D367 PolarHBondContact O-N 3.39Å
365L92Very high93.4Very high80 Ų8065.5 Ų65.542%0.41935%0.345SS..G310 helixtrans-75.2-21.4178.6-69.6171.3000111.4W209 L216 D367 Y368W209-L365 HydrophobicContact CE3-CD2 4.49Å; W209-L365 HydrophobicContact CH2-CD2 4.34Å; W209-L365 HydrophobicContact CH2-CG 3.93Å; W209-L365 HydrophobicContact CZ3-CD2 3.64Å; W209-L365 HydrophobicContact CZ3-CG 3.74Å; L216-L365 HydrophobicContact CD1-CD2 3.76Å; L365-D367 PolarHBondContact O-N 2.98Å; L365-Y368 PolarHBondContact O-N 3.41Å
366E92.1Very high93.4Very high147 Ų14768.1 Ų68.169%0.68736%0.357SS*.G310 helixtrans-66-24.5176.5-60.575.4-162.800112.4R364 Y368R364-E366 WeakPolarHBondContact CB-OE2 3.16Å; E366-Y368 PolarHBondContact O-N 3.27Å; E366-Y368 VanDerWaalsContact O-N 3.15Å
367D93.8Very high93.4Very high11 Ų1171 Ų716%0.05937%0.368CS..G310 helixtrans-71.5-2.7177.1-64.9-26.3000112.5Y224 E225 R364 L365Y224-D367 HydrophobicContact CD2-CB 4.19Å; Y224-D367 HydrophobicContact CE2-CB 3.52Å; Y224-D367 PolarHBondContact OH-OD2 3.29Å; Y224-D367 VanDerWaalsContact OH-OD2 3.09Å; E225-D367 WeakPolarHBondContact CB-O 3.11Å; E225-D367 PolarHBondContact N-O 3Å; R364-D367 IonicContact CZ-OD1 3.2Å; R364-D367 IonicContact CZ-OD2 3.48Å; R364-D367 IonicContact NE-OD1 3.84Å; R364-D367 PolarHBondContact NE-OD1 2.99Å; R364-D367 IonicContact NE-OD2 3.9Å; R364-D367 PolarHBondContact NE-OD2 3.03Å; R364-D367 IonicContact NH2-OD1 3.43Å; R364-D367 PolarHBondContact NH2-OD1 2.7Å; R364-D367 IonicContact NH2-OD2 3.4Å; R364-D367 PolarHBondContact O-N 3.39Å; L365-D367 PolarHBondContact O-N 2.98Å
368Y96.7Very high93.4Very high14 Ų1470.8 Ų70.86%0.05536%0.362CS..EExtended strand (participates in β ladder)trans-104.4121.2176.6-63.8-98.6000111D213 L216 I217 L223 Y224 I318 L365 E366D213-Y368 WeakPolarHBondContact CB-OH 3.37Å; D213-Y368 WeakPolarHBondContact OD1-CE1 3.47Å; D213-Y368 PolarHBondContact OD1-OH 2.94Å; L216-Y368 HydrophobicContact CB-CD1 4.08Å; L216-Y368 HydrophobicContact CB-CE1 4.35Å; L216-Y368 HydrophobicContact CD1-CD1 3.96Å; L216-Y368 HydrophobicContact CD1-CD2 3.86Å; L216-Y368 HydrophobicContact CD1-CE1 4.04Å; L216-Y368 HydrophobicContact CD1-CE2 3.94Å; L216-Y368 HydrophobicContact CD1-CG 3.85Å; I217-Y368 HydrophobicContact CD1-CE1 4.2Å; I217-Y368 HydrophobicContact CG1-CD1 4.49Å; I217-Y368 HydrophobicContact CG1-CE1 4.29Å; L223-Y368 WeakPolarHBondContact O-CA 3.41Å; Y224-Y368 HydrophobicContact CD2-CD1 4.24Å; Y224-Y368 HydrophobicContact CD2-CD2 4.32Å; Y224-Y368 AromaticContact CD2-CE1 3.81Å; Y224-Y368 HydrophobicContact CD2-CE1 3.81Å; Y224-Y368 AromaticContact CD2-CE2 3.9Å; Y224-Y368 HydrophobicContact CD2-CE2 3.9Å; Y224-Y368 HydrophobicContact CD2-CG 4.49Å; Y224-Y368 AromaticContact CD2-CZ 3.63Å; Y224-Y368 HydrophobicContact CE2-CE2 4.14Å; I318-Y368 WeakPolarHBondContact CG1-OH 3.45Å; L365-Y368 PolarHBondContact O-N 3.41Å; E366-Y368 PolarHBondContact O-N 3.27Å; E366-Y368 VanDerWaalsContact O-N 3.15Å
369T94.6Very high93.2Very high64 Ų6469.3 Ų69.339%0.39336%0.357SS..EExtended strand (participates in β ladder)trans-109149.2178.958.80000111R222 L223 A371R222-T369 CarbonylContact C-O 3.51Å; R222-T369 WeakPolarHBondContact CA-O 3.38Å; R222-T369 WeakPolarHBondContact CB-O 3.5Å; L223-T369 PolarHBondContact N-O 3.29Å; L223-T369 PolarHBondContact O-N 3.27Å; T369-A371 PolarHBondContact O-N 3.35Å
370V94.8Very high92.7Very high97 Ų9773.5 Ų73.559%0.58838%0.378SS*.EExtended strand (participates in β ladder)trans-69.9124.8175.9-179.70000108.8R222R222-V370 HydrophobicContact CG-CG2 4.29Å
371A94.2Very high91.9Very high7 Ų777.8 Ų77.86%0.05840%0.395CS..PPolyproline II helixtrans-64139.217800000110.5A221 L223 F294 T369 Y375 Q376A221-A371 WeakPolarHBondContact O-CB 3.48Å; A221-A371 PolarHBondContact O-N 3.25Å; A221-A371 VanDerWaalsContact O-N 3.15Å; L223-A371 HydrophobicContact CD1-CB 3.95Å; L223-A371 HydrophobicContact CG-CB 4.13Å; F294-A371 HydrophobicContact CE1-CB 3.83Å; F294-A371 HydrophobicContact CZ-CB 3.67Å; T369-A371 PolarHBondContact O-N 3.35Å; A371-Y375 HydrophobicContact CB-CD1 3.84Å; A371-Y375 HydrophobicContact CB-CG 4.36Å; A371-Q376 HydrophobicContact CB-CG 4.05Å; A371-Q376 PolarHBondContact O-NE2 2.62Å
372T94.4Very high91.9Very high93 Ų9375.2 Ų75.257%0.57139%0.391SS*.PPolyproline II helixtrans-61.2152.5178.765.30000111.2E374 Y375 Q376T372-E374 PolarHBondContact O-N 3.3Å; T372-Y375 WeakPolarHBondContact O-CB 3.01Å; T372-Y375 PolarHBondContact O-N 2.85Å; T372-Y375 WeakPolarHBondContact OG1-CB 3.42Å; T372-Y375 PolarHBondContact OG1-N 2.82Å; T372-Q376 WeakPolarHBondContact O-CG 3.36Å; T372-Q376 PolarHBondContact O-N 3.14Å
373A91.8Very high91.8Very high81 Ų8178.9 Ų78.967%0.66941%0.41SS*.Hα-helixtrans-57.2-33.517800000112.5R377A373-R377 WeakPolarHBondContact O-CB 3.49Å; A373-R377 PolarHBondContact O-N 2.78Å
374E93.6Very high91.6Very high136 Ų13682.8 Ų82.864%0.63643%0.431SS*.Hα-helixtrans-66.5-45.1174.2-171.5-174.5164.100112.1T372 R377 R378T372-E374 PolarHBondContact O-N 3.3Å; E374-R377 PolarHBondContact O-N 3.42Å; E374-R378 WeakPolarHBondContact O-CG 3.26Å; E374-R378 PolarHBondContact O-N 3.35Å
375Y95.5Very high91.5Very high16 Ų1682.8 Ų82.86%0.06344%0.438CS..Hα-helixtrans-60.6-47.3176.3-175.9-80.1000110.9L223 F294 L297 Q298 A371 T372 R377 R378 A379L223-Y375 HydrophobicContact CD1-CD1 3.88Å; L223-Y375 HydrophobicContact CD1-CD2 4.14Å; L223-Y375 HydrophobicContact CD1-CE1 3.57Å; L223-Y375 HydrophobicContact CD1-CE2 3.82Å; L223-Y375 HydrophobicContact CD1-CG 4.17Å; L223-Y375 HydrophobicContact CD2-CE1 4.05Å; L223-Y375 HydrophobicContact CG-CE1 4.24Å; F294-Y375 HydrophobicContact CD1-CE1 4.36Å; F294-Y375 HydrophobicContact CD2-CE1 4.41Å; F294-Y375 HydrophobicContact CE1-CD1 4.31Å; F294-Y375 AromaticContact CE1-CE1 3.96Å; F294-Y375 HydrophobicContact CE1-CE1 3.96Å; F294-Y375 HydrophobicContact CE2-CD1 4.18Å; F294-Y375 HydrophobicContact CE2-CE1 4.02Å; F294-Y375 AromaticContact CZ-CD1 3.8Å; F294-Y375 HydrophobicContact CZ-CD1 3.8Å; F294-Y375 AromaticContact CZ-CE1 3.77Å; F294-Y375 HydrophobicContact CZ-CE1 3.77Å; F294-Y375 WeakPolarHBondContact O-CE1 3.46Å; F294-Y375 PolarHBondContact O-OH 2.77Å; L297-Y375 HydrophobicContact CB-CE2 3.98Å; L297-Y375 HydrophobicContact CD2-CD2 3.92Å; L297-Y375 HydrophobicContact CD2-CE1 4.49Å; L297-Y375 HydrophobicContact CD2-CE2 3.79Å; L297-Y375 HydrophobicContact CD2-CG 4.35Å; L297-Y375 HydrophobicContact CG-CD2 4.43Å; L297-Y375 HydrophobicContact CG-CE2 3.88Å; Q298-Y375 HydrophobicContact CB-CE2 4.1Å; Q298-Y375 WeakPolarHBondContact CB-OH 3.42Å; Q298-Y375 PolarHBondContact N-OH 2.77Å; A371-Y375 HydrophobicContact CB-CD1 3.84Å; A371-Y375 HydrophobicContact CB-CG 4.36Å; T372-Y375 WeakPolarHBondContact O-CB 3.01Å; T372-Y375 PolarHBondContact O-N 2.85Å; T372-Y375 WeakPolarHBondContact OG1-CB 3.42Å; T372-Y375 PolarHBondContact OG1-N 2.82Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.1Å; Y375-R378 PolarHBondContact O-N 3.2Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; Y375-A379 HydrophobicContact CD1-CB 4.21Å; Y375-A379 HydrophobicContact CE1-CB 3.91Å; Y375-A379 WeakPolarHBondContact O-CB 3.11Å; Y375-A379 PolarHBondContact O-N 3.32Å
376Q92.9Very high91.5Very high55 Ų5582.9 Ų82.926%0.25744%0.439SS..Hα-helixtrans-57.1-45.3178.4-69.6-178.221.500111.5A221 F294 A371 T372 R378 A379 M380A221-Q376 HydrophobicContact CB-CG 4.42Å; F294-Q376 HydrophobicContact CE2-CG 4.38Å; F294-Q376 HydrophobicContact CZ-CG 4.01Å; A371-Q376 HydrophobicContact CB-CG 4.05Å; A371-Q376 PolarHBondContact O-NE2 2.62Å; T372-Q376 WeakPolarHBondContact O-CG 3.36Å; T372-Q376 PolarHBondContact O-N 3.14Å; Q376-R378 PolarHBondContact O-N 3.14Å; Q376-A379 PolarHBondContact O-N 3.14Å; Q376-M380 HydrophobicContact CB-CE 4.21Å; Q376-M380 WeakPolarHBondContact O-CB 3.45Å; Q376-M380 VanDerWaalsContact O-CG 3.27Å; Q376-M380 WeakPolarHBondContact O-CG 2.81Å; Q376-M380 PolarHBondContact O-N 3.19Å; Q376-M380 VanDerWaalsContact O-N 3.09Å
377R92.9Very high91.5Very high188 Ų18878.7 Ų78.771%0.70942%0.422SS*.Hα-helixtrans-57.9-49.8175.3-173.6-174.5-65.1-174.7-0.9111.4A373 E374 Y375 A379 M380 C381A373-R377 WeakPolarHBondContact O-CB 3.49Å; A373-R377 PolarHBondContact O-N 2.78Å; E374-R377 PolarHBondContact O-N 3.42Å; Y375-R377 VanDerWaalsContact C-N 3.31Å; Y375-R377 PolarHBondContact O-N 3.1Å; R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 3.42Å; R377-M380 PolarHBondContact O-N 3Å; R377-C381 PolarHBondContact O-N 2.85Å; R377-C381 PolarHBondContact O-SG 3.15Å
378R93.4Very high91.3Very high110 Ų11083.5 Ų83.542%0.41545%0.448SS..Hα-helixtrans-67.8-28.4-178.7-71.1174.261.9-148.8-9.3113.7L297 E301 E374 Y375 Q376L297-R378 HydrophobicContact CD2-CB 3.52Å; E301-R378 IonicContact OE1-CZ 3.17Å; E301-R378 IonicContact OE1-NH1 2.75Å; E301-R378 PolarHBondContact OE1-NH1 3.19Å; E301-R378 IonicContact OE1-NH2 2.76Å; E301-R378 PolarHBondContact OE1-NH2 3.31Å; E374-R378 WeakPolarHBondContact O-CG 3.26Å; E374-R378 PolarHBondContact O-N 3.35Å; Y375-R378 PolarHBondContact O-N 3.2Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; Q376-R378 PolarHBondContact O-N 3.14Å
379A89.2Confident90.9Very high18 Ų1888.8 Ų88.815%0.14948%0.479CS..Hα-helixtrans-83.5-20.5179.200000113.2F294 L297 Y375 Q376 R377F294-A379 HydrophobicContact CD2-CB 3.8Å; F294-A379 HydrophobicContact CE2-CB 3.79Å; L297-A379 HydrophobicContact CD2-CB 4.23Å; Y375-A379 HydrophobicContact CD1-CB 4.21Å; Y375-A379 HydrophobicContact CE1-CB 3.91Å; Y375-A379 WeakPolarHBondContact O-CB 3.11Å; Y375-A379 PolarHBondContact O-N 3.32Å; Q376-A379 PolarHBondContact O-N 3.14Å; R377-A379 VanDerWaalsContact C-N 3.32Å; R377-A379 PolarHBondContact O-N 3.42Å
380M81.1Confident90.6Very high133 Ų13390.9 Ų90.966%0.65549%0.486SS*.Hα-helixtrans-91.9-27.3177.8-69.3-177.5-15900113.7Q376 R377Q376-M380 HydrophobicContact CB-CE 4.21Å; Q376-M380 WeakPolarHBondContact O-CB 3.45Å; Q376-M380 VanDerWaalsContact O-CG 3.27Å; Q376-M380 WeakPolarHBondContact O-CG 2.81Å; Q376-M380 PolarHBondContact O-N 3.19Å; Q376-M380 VanDerWaalsContact O-N 3.09Å; R377-M380 PolarHBondContact O-N 3Å
381C73.2Confident90.2Very high157 Ų15790.4 Ų90.4100%1.06148%0.477SS*.  trans-71.20167.7-63.80000110.8R377R377-C381 PolarHBondContact O-N 2.85Å; R377-C381 PolarHBondContact O-SG 3.15Å

Retrieved 381 of 381 residues in 739.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).